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

Systemtic Name: N-(4-methylphenyl)-2-[[4-(2-piperidin-1-ylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-[2-(1-piperidyl)ethyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[4-[2-(1-piperidinyl)ethyl]-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[[4-(2-piperidin-1-ylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2-piperidinoethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C23H28N6OS MolecularWeight: 436.57302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCN3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCN3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C23H28N6OS/c1-18-7-9-20(10-8-18)25-21(30)17-31-23-27-26-22(19-6-5-11-24-16-19)29(23)15-14-28-12-3-2-4-13-28/h5-11,16H,2-4,12-15,17H2,1H3,(H,25,30)