4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C22H19N5OS/c1-15-4-2-3-5-19(15)27-21(18-10-12-24-13-11-18)25-26-22(27)29-14-16-6-8-17(9-7-16)20(23)28/h2-13H,14H2,1H3,(H2,23,28)