N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(imidazol-1-ylmethyl)benzyl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C23H24N4O2S/c1-30-21-4-2-3-20(12-21)27-15-19(11-22(27)28)23(29)25-13-17-5-7-18(8-6-17)14-26-10-9-24-16-26/h2-10,12,16,19H,11,13-15H2,1H3,(H,25,29)