4-azanyl-5-(4-chlorophenyl)carbonyl-2-[(2-cyano-4,5-dimethoxy-phenyl)amino]thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(4-chlorophenyl)carbonyl-2-[(2-cyano-4,5-dimethoxy-phenyl)amino]thiophene-3-carbonitrile Openeye Name: 4-amino-5-(4-chlorobenzoyl)-2-(2-cyano-4,5-dimethoxy-anilino)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(4-chlorophenyl)-oxomethyl]-2-(2-cyano-4,5-dimethoxyanilino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(4-chlorobenzoyl)-2-(2-cyano-4,5-dimethoxyanilino)thiophene-3-carbonitrile Traditional Name: 4-amino-5-(4-chlorobenzoyl)-2-(2-cyano-4,5-dimethoxy-anilino)thiophene-3-carbonitrile Formula: C21H15ClN4O3S MolecularWeight: 438.8868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C#N)OC

InChI

InChI=1S/C21H15ClN4O3S/c1-28-16-7-12(9-23)15(8-17(16)29-2)26-21-14(10-24)18(25)20(30-21)19(27)11-3-5-13(22)6-4-11/h3-8,26H,25H2,1-2H3