1-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]-N-phenyl-isonipecotamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S/c1-16-6-5-7-18(14-16)21-25-26-23(31)28(21)15-20(29)27-12-10-17(11-13-27)22(30)24-19-8-3-2-4-9-19/h2-9,14,17H,10-13,15H2,1H3,(H,24,30)(H,26,31)