ALTERNATIVE DEFINITION for [4-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-3-METHYL-5-OXO-4H-PYRAZOL-4-YL)DIAZEN-1-YL)BENZENESULFONIC ACID]

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H22Cl2N8O5S
Molecular Weight	593.442
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [4-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-3-METHYL-5-OXO-4H-PYRAZOL-4-YL)DIAZEN-1-YL)BENZENESULFONIC ACID]

Structure Search

SMILES

CC(C)OC1=NC(NC2=CC=C(C(=C2)\N=N\C3C(C)=NN(C3=O)C4=C(Cl)C=CC=C4C)S(O)(=O)=O)=NC(Cl)=N1

InChI

InChIKey=MBHGUVULSNCWKZ-NVQSTNCTSA-N

InChI=1S/C23H22Cl2N8O5S/c1-11(2)38-23-28-21(25)27-22(29-23)26-14-8-9-17(39(35,36)37)16(10-14)30-31-18-13(4)32-33(20(18)34)19-12(3)6-5-7-15(19)24/h5-11,18H,1-4H3,(H,35,36,37)(H,26,27,28,29)/b31-30+

HIDE SMILES / InChI

Molecular Formula	C23H22Cl2N8O5S
Molecular Weight	593.442
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:17:37 GMT 2025` Edited by `admin` on `Wed Apr 02 06:17:37 GMT 2025`
Record UNII	17E95CEZ1Q
Record Status	`alternative`
Record Version

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					17E95CEZ1Q

4-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-3-METHYL-5-OXO-4H-PYRAZOL-4-YL)DIAZEN-1-YL)BENZENESULFONIC ACID

Related Record Type Details


					17E95CEZ1Q

4-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-3-METHYL-5-OXO-4H-PYRAZOL-4-YL)DIAZEN-1-YL)BENZENESULFONIC ACID

Primary Definition