1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]pyrrolidine-3-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H23N5O2S/c1-30-20-8-6-19(7-9-20)27-13-18(10-21(27)28)22(29)24-11-16-2-4-17(5-3-16)12-26-15-23-14-25-26/h2-9,14-15,18H,10-13H2,1H3,(H,24,29)