N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C26H22N6OS MolecularWeight: 466.55748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N6OS/c33-25(21-13-11-19(12-14-21)17-34-26-28-18-29-30-26)27-15-22-16-32(23-9-5-2-6-10-23)31-24(22)20-7-3-1-4-8-20/h1-14,16,18H,15,17H2,(H,27,33)(H,28,29,30)