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

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-[3-(1-pyrazolylmethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-[3-(pyrazol-1-ylmethyl)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=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

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