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

Systemtic Name: N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C22H22N6OS/c1-27(12-19-11-25-28(14-19)13-17-5-3-2-4-6-17)21(29)20-9-7-18(8-10-20)15-30-22-23-16-24-26-22/h2-11,14,16H,12-13,15H2,1H3,(H,23,24,26)