4-OXO-6-PHENYL-3-PROPAN-2-YL-2-PROPAN-2-YLIMINO-1,3-THIAZINE-5-CARBONITRILE

Stereochemistry	ACHIRAL
Molecular Formula	C17H19N3OS
Molecular Weight	313.417
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	MM2 minimum energy for Z isomer is 29.4434 kcal/mol and for E isomer is 34.7649 kcal/mol. Assumed Z-isomer

CC(C)\N=C1/SC(C2=CC=CC=C2)=C(C#N)C(=O)N1C(C)C

InChIKey=VIAHYDZVPIIMSJ-ZPHPHTNESA-N

InChI=1S/C17H19N3OS/c1-11(2)19-17-20(12(3)4)16(21)14(10-18)15(22-17)13-8-6-5-7-9-13/h5-9,11-12H,1-4H3/b19-17-

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:57:59 GMT 2023` Edited by `admin` on `Sat Dec 16 12:57:59 GMT 2023`
Record UNII	A25L4H5K7J
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

4-OXO-6-PHENYL-3-PROPAN-2-YL-2-PROPAN-2-YLIMINO-1,3-THIAZINE-5-CARBONITRILE

Systematic Name

English

2H-1,3-THIAZINE-5-CARBONITRILE, 3,4-DIHYDRO-3-(1-METHYLETHYL)-2-((1-METHYLETHYL)IMINO)-4-OXO-6-PHENYL-

Systematic Name

English

NSC-298212

Code

English

Code System Code Type Description

CAS

61628-74-8

Created by admin on Sat Dec 16 12:57:59 GMT 2023 , Edited by admin on Sat Dec 16 12:57:59 GMT 2023

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PUBCHEM

326569

Created by admin on Sat Dec 16 12:57:59 GMT 2023 , Edited by admin on Sat Dec 16 12:57:59 GMT 2023

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NSC

298212

Created by admin on Sat Dec 16 12:57:59 GMT 2023 , Edited by admin on Sat Dec 16 12:57:59 GMT 2023

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FDA UNII

A25L4H5K7J

Created by admin on Sat Dec 16 12:57:59 GMT 2023 , Edited by admin on Sat Dec 16 12:57:59 GMT 2023

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