2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-3-phenylazanyl-3-sulfanyl-prop-2-enenitrile

Systemtic Name: 2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-3-phenylazanyl-3-sulfanyl-prop-2-enenitrile Openeye Name: 3-anilino-2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]-3-sulfanyl-prop-2-enenitrile CAS Name: 3-anilino-2-[[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-3-mercapto-2-propenenitrile IUPAC Name: 3-anilino-2-[1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbonyl]-3-sulfanylprop-2-enenitrile Traditional Name: 3-anilino-2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]-3-mercapto-acrylonitrile Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C(=C(NC3=CC=CC=C3)S)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C(=C(NC3=CC=CC=C3)S)C#N

InChI

InChI=1S/C22H18BrN3OS/c1-14-12-19(15(2)26(14)18-10-8-16(23)9-11-18)21(27)20(13-24)22(28)25-17-6-4-3-5-7-17/h3-12,25,28H,1-2H3