1-(2-methylphenyl)-5-oxidanylidene-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2-methylphenyl)-5-oxidanylidene-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(o-tolyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(2-methylphenyl)-5-oxo-N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-5-keto-1-(o-tolyl)pyrrolidine-3-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NN=C(S3)CSCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c1-15-7-5-6-10-18(15)26-12-17(11-20(26)27)21(28)23-22-25-24-19(30-22)14-29-13-16-8-3-2-4-9-16/h2-10,17H,11-14H2,1H3,(H,23,25,28)