PBB-3

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H15N3OS
Molecular Weight	309.386
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=NC=C(\C=C\C=C\C2=NC3=CC=C(O)C=C3S2)C=C1

InChI

InChIKey=LBCRWMJTAFCLCL-ZUVMSYQZSA-N

InChI=1S/C17H15N3OS/c1-18-16-9-6-12(11-19-16)4-2-3-5-17-20-14-8-7-13(21)10-15(14)22-17/h2-11,21H,1H3,(H,18,19)/b4-2+,5-3+

HIDE SMILES / InChI

Molecular Formula	C17H15N3OS
Molecular Weight	309.386
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:42:01 GMT 2025` Edited by `admin` on `Mon Mar 31 21:42:01 GMT 2025`
Record UNII	F09FXO5I7I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PBB-3

Common Name

English

J3.303.052E

Preferred Name

English

PBB3

Common Name

English

2-(4-(2-(METHYLAMINO)PYRIDINE-5-YL)-1,3-BUTADIENE-1-YL)BENZOTHIAZOLE-6-OL

Systematic Name

English

6-BENZOTHIAZOLOL, 2-((1E,3E)-4-(6-(METHYLAMINO)-3-PYRIDINYL)-1,3-BUTADIEN-1-YL)-

Systematic Name

English

2-((1E,3E)-4-(6-(METHYLAMINO)PYRIDIN-3-YL)BUT-1,3-DIENYL)BENZO(D)THIAZOLE-6-OL

Systematic Name

English

Code System Code Type Description

CAS

1609196-28-2

Created by admin on Mon Mar 31 21:42:01 GMT 2025 , Edited by admin on Mon Mar 31 21:42:01 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

F09FXO5I7I

Created by admin on Mon Mar 31 21:42:01 GMT 2025 , Edited by admin on Mon Mar 31 21:42:01 GMT 2025

PRIMARY

PUBCHEM

73330716

Created by admin on Mon Mar 31 21:42:01 GMT 2025 , Edited by admin on Mon Mar 31 21:42:01 GMT 2025

PRIMARY

CAS

1565796-97-5

Created by admin on Mon Mar 31 21:42:01 GMT 2025 , Edited by admin on Mon Mar 31 21:42:01 GMT 2025

PRIMARY