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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide Openeye Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide CAS Name: 2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)propanamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide Traditional Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)propionamide Formula: C29H25N5OS MolecularWeight: 491.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H25N5OS/c1-20-11-6-9-17-26(20)34-27(23-14-10-18-30-19-23)32-33-29(34)36-21(2)28(35)31-25-16-8-7-15-24(25)22-12-4-3-5-13-22/h3-19,21H,1-2H3,(H,31,35)