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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3CC(=O)N(C3)C4=CC=CC=C4C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=NN=C(S2)[C@H]3CC(=O)N(C3)C4=CC=CC=C4C

InChI

InChI=1S/C22H22N4O2S2/c1-3-29-18-11-7-5-9-16(18)20(28)23-22-25-24-21(30-22)15-12-19(27)26(13-15)17-10-6-4-8-14(17)2/h4-11,15H,3,12-13H2,1-2H3,(H,23,25,28)/t15-/m0/s1