N-(4-bromanyl-3-methyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Br

InChI

InChI=1S/C17H15BrN4OS/c1-11-8-14(6-7-15(11)18)21-16(23)13-4-2-12(3-5-13)9-24-17-19-10-20-22-17/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)