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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C21H20N6OS/c1-29-21-25-24-19(26(21)15-16-8-3-2-4-9-16)14-22-20(28)17-10-5-6-11-18(17)27-13-7-12-23-27/h2-13H,14-15H2,1H3,(H,22,28)