N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[5-methylsulfanyl-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[4-(2-methylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[[5-(methylthio)-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H20N6OS/c1-15-6-3-4-7-18(15)27-19(24-25-21(27)29-2)14-22-20(28)16-8-10-17(11-9-16)26-13-5-12-23-26/h3-13H,14H2,1-2H3,(H,22,28)