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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-2-pyrrolidino-ethyl)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC(C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C23H27N5OS/c1-17-8-7-11-19(14-17)22-25-26-23(30)28(22)16-21(29)24-15-20(27-12-5-6-13-27)18-9-3-2-4-10-18/h2-4,7-11,14,20H,5-6,12-13,15-16H2,1H3,(H,24,29)(H,26,30)