5-(4-chlorophenyl)carbonyl-2-phenylazanyl-4-pyrrol-1-yl-thiophene-3-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)carbonyl-2-phenylazanyl-4-pyrrol-1-yl-thiophene-3-carbonitrile Openeye Name: 2-anilino-5-(4-chlorobenzoyl)-4-pyrrol-1-yl-thiophene-3-carbonitrile CAS Name: 2-anilino-5-[(4-chlorophenyl)-oxomethyl]-4-(1-pyrrolyl)-3-thiophenecarbonitrile IUPAC Name: 2-anilino-5-(4-chlorobenzoyl)-4-pyrrol-1-ylthiophene-3-carbonitrile Traditional Name: 2-anilino-5-(4-chlorobenzoyl)-4-pyrrol-1-yl-thiophene-3-carbonitrile Formula: C22H14ClN3OS MolecularWeight: 403.88406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N4C=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N4C=CC=C4)C#N

InChI

InChI=1S/C22H14ClN3OS/c23-16-10-8-15(9-11-16)20(27)21-19(26-12-4-5-13-26)18(14-24)22(28-21)25-17-6-2-1-3-7-17/h1-13,25H