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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide Openeye Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide CAS Name: 2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylpropyl)propanamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide Traditional Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylpropyl)propionamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NCC(C)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NCC(C)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C26H27N5OS/c1-18-10-7-8-14-23(18)31-24(22-13-9-15-27-17-22)29-30-26(31)33-20(3)25(32)28-16-19(2)21-11-5-4-6-12-21/h4-15,17,19-20H,16H2,1-3H3,(H,28,32)