N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-methyl-benzamide Openeye Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-methyl-benzamide CAS Name: N-[2-[[5-bromo-2-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-2-methylbenzamide IUPAC Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-methylbenzamide Traditional Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)thio]phenyl]-2-methyl-benzamide Formula: C23H19BrN4OS MolecularWeight: 479.39216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=CC=C2SC3=NC(=NN3CC4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=CC=C2SC3=NC(=NN3CC4=CC=CC=C4)Br

InChI

InChI=1S/C23H19BrN4OS/c1-16-9-5-6-12-18(16)21(29)25-19-13-7-8-14-20(19)30-23-26-22(24)27-28(23)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3,(H,25,29)