N-[5-[(3S)-1-(2-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[5-[(3S)-1-(2-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[5-[(3S)-1-(o-tolyl)-5-oxo-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[5-[(3S)-1-(2-methylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]-3-(phenylthio)propanamide IUPAC Name: N-[5-[(3S)-1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[5-[(3S)-5-keto-1-(o-tolyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-(phenylthio)propionamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC(CC2=O)C3=NN=C(S3)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C[C@H](CC2=O)C3=NN=C(S3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c1-15-7-5-6-10-18(15)26-14-16(13-20(26)28)21-24-25-22(30-21)23-19(27)11-12-29-17-8-3-2-4-9-17/h2-10,16H,11-14H2,1H3,(H,23,25,27)/t16-/m0/s1