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

Systemtic Name: N-(2-methylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)propanamide CAS Name: N-(2-methylphenyl)-2-[[4-(2-methylpropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC(C)C)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-14(2)13-26-19(17-9-7-11-22-12-17)24-25-21(26)28-16(4)20(27)23-18-10-6-5-8-15(18)3/h5-12,14,16H,13H2,1-4H3,(H,23,27)