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

Systemtic Name: N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-methyl-propanamide Openeye Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-methyl-propanamide CAS Name: N-[2-[[5-bromo-2-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-2-methylpropanamide IUPAC Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-methylpropanamide Traditional Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)thio]phenyl]-2-methyl-propionamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC=C1SC2=NC(=NN2CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC=C1SC2=NC(=NN2CC3=CC=CC=C3)Br

InChI

InChI=1S/C19H19BrN4OS/c1-13(2)17(25)21-15-10-6-7-11-16(15)26-19-22-18(20)23-24(19)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,21,25)