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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)acetamide Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)N4CCCCC4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)N4CCCCC4)C5=CC=NC=C5

InChI

InChI=1S/C27H28N6OS/c1-20-7-3-4-8-24(20)33-26(21-13-15-28-16-14-21)30-31-27(33)35-19-25(34)29-22-9-11-23(12-10-22)32-17-5-2-6-18-32/h3-4,7-16H,2,5-6,17-19H2,1H3,(H,29,34)