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

Systemtic Name: 4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-[[3-(trifluoromethyl)phenyl]amino]thiophene-3-carbonitrile Openeye Name: 4-amino-5-(3,4-dimethoxybenzoyl)-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile CAS Name: 4-amino-5-[(3,4-dimethoxyphenyl)-oxomethyl]-2-[3-(trifluoromethyl)anilino]-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(3,4-dimethoxybenzoyl)-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile Traditional Name: 4-amino-2-[3-(trifluoromethyl)anilino]-5-veratroyl-thiophene-3-carbonitrile Formula: C21H16F3N3O3S MolecularWeight: 447.43025

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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)C(F)(F)F)C#N)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H16F3N3O3S/c1-29-15-7-6-11(8-16(15)30-2)18(28)19-17(26)14(10-25)20(31-19)27-13-5-3-4-12(9-13)21(22,23)24/h3-9,27H,26H2,1-2H3