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

Systemtic Name: 4-azanyl-2-[(3,4-dimethoxyphenyl)amino]-5-(phenylcarbonyl)thiophene-3-carbonitrile Openeye Name: 4-amino-5-benzoyl-2-(3,4-dimethoxyanilino)thiophene-3-carbonitrile CAS Name: 4-amino-5-benzoyl-2-(3,4-dimethoxyanilino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-benzoyl-2-(3,4-dimethoxyanilino)thiophene-3-carbonitrile Traditional Name: 4-amino-5-benzoyl-2-(3,4-dimethoxyanilino)thiophene-3-carbonitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-25-15-9-8-13(10-16(15)26-2)23-20-14(11-21)17(22)19(27-20)18(24)12-6-4-3-5-7-12/h3-10,23H,22H2,1-2H3