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

Systemtic Name: N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]ethanamide Openeye Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide CAS Name: N-[2-[[5-bromo-2-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]acetamide IUPAC Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide Traditional Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)thio]phenyl]acetamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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