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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C22H25N5OS/c1-15-5-7-17(8-6-15)21-24-25-22(29)27(21)14-20(28)23-19-10-9-18(13-16(19)2)26-11-3-4-12-26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,28)(H,25,29)