ethyl 4-cyano-5-[[5-cyano-4-methyl-2,6-bis[(4-methylphenyl)amino]pyridin-3-yl]diazenyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[[5-cyano-4-methyl-2,6-bis[(4-methylphenyl)amino]pyridin-3-yl]diazenyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridyl]azo]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)-3-pyridinyl]azo]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-methylanilino)pyridin-3-yl]diazenyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[5-cyano-4-methyl-2,6-bis(p-toluidino)-3-pyridyl]azo]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C30H27N7O2S MolecularWeight: 549.64608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N=NC2=C(N=C(C(=C2C)C#N)NC3=CC=C(C=C3)C)NC4=CC=C(C=C4)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N=NC2=C(N=C(C(=C2C)C#N)NC3=CC=C(C=C3)C)NC4=CC=C(C=C4)C)C#N)C

InChI

InChI=1S/C30H27N7O2S/c1-6-39-30(38)26-20(5)24(16-32)29(40-26)37-36-25-19(4)23(15-31)27(33-21-11-7-17(2)8-12-21)35-28(25)34-22-13-9-18(3)10-14-22/h7-14H,6H2,1-5H3,(H2,33,34,35)