4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-phenylazanyl-thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-phenylazanyl-thiophene-3-carbonitrile Openeye Name: 4-amino-2-anilino-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile CAS Name: 4-amino-2-anilino-5-[(3,4-dimethoxyphenyl)-oxomethyl]-3-thiophenecarbonitrile IUPAC Name: 4-amino-2-anilino-5-(3,4-dimethoxybenzoyl)thiophene-3-carbonitrile Traditional Name: 4-amino-2-anilino-5-veratroyl-thiophene-3-carbonitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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