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

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C22H22N4O2S/c1-29-20-7-5-19(6-8-20)26-14-17(12-21(26)27)22(28)24-18-4-2-3-16(11-18)13-25-10-9-23-15-25/h2-11,15,17H,12-14H2,1H3,(H,24,28)