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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)CCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)CCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C26H27N5OS/c1-19-9-6-7-13-23(19)31-25(22-12-8-16-27-17-22)29-30-26(31)33-18-24(32)28-20(2)14-15-21-10-4-3-5-11-21/h3-13,16-17,20H,14-15,18H2,1-2H3,(H,28,32)