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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-benzyl-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C24H23N5OS/c1-17-9-6-7-13-21(17)29-22(20-12-8-14-25-16-20)27-28-24(29)31-18(2)23(30)26-15-19-10-4-3-5-11-19/h3-14,16,18H,15H2,1-2H3,(H,26,30)