3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]propanamide

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]propanamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidino-ethyl]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC[C@@H](C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C24H29N5OS/c1-18-9-11-20(12-10-18)23-26-27-24(31)29(23)16-13-22(30)25-17-21(28-14-5-6-15-28)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-17H2,1H3,(H,25,30)(H,27,31)/t21-/m0/s1