N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide Openeye Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide Traditional Name: 5-keto-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-1-phenyl-pyrrolidine-3-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-24-12-11-22-21(24)28-18-9-7-16(8-10-18)23-20(27)15-13-19(26)25(14-15)17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,23,27)