2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-piperidinophenyl)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

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