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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H22N6OS MolecularWeight: 418.51468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C22H22N6OS/c1-15-20(16(2)28(27-15)19-6-4-3-5-7-19)12-23-21(29)18-10-8-17(9-11-18)13-30-22-24-14-25-26-22/h3-11,14H,12-13H2,1-2H3,(H,23,29)(H,24,25,26)