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

Systemtic Name: 4-azanyl-2-[(3-chlorophenyl)amino]-5-(3,4-dimethoxyphenyl)carbonyl-thiophene-3-carbonitrile Openeye Name: 4-amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile CAS Name: 4-amino-2-(3-chloroanilino)-5-[(3,4-dimethoxyphenyl)-oxomethyl]-3-thiophenecarbonitrile IUPAC Name: 4-amino-2-(3-chloroanilino)-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile Traditional Name: 4-amino-2-(3-chloroanilino)-5-veratroyl-thiophene-3-carbonitrile Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC(=CC=C3)Cl)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC(=CC=C3)Cl)C#N)N)OC

InChI

InChI=1S/C20H16ClN3O3S/c1-26-15-7-6-11(8-16(15)27-2)18(25)19-17(23)14(10-22)20(28-19)24-13-5-3-4-12(21)9-13/h3-9,24H,23H2,1-2H3