5-(2-bromanyl-5-methoxy-phenyl)-2-(phenylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-bromanyl-5-methoxy-phenyl)-2-(phenylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-benzyl-5-(2-bromo-5-methoxy-phenyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-bromo-5-methoxyphenyl)-2-(phenylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-benzyl-5-(2-bromo-5-methoxyphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-benzyl-5-(2-bromo-5-methoxy-phenyl)-1H-1,2,4-triazole-3-thione Formula: C16H14BrN3OS MolecularWeight: 376.27086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C2=NC(=S)N(N2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C2=NC(=S)N(N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H14BrN3OS/c1-21-12-7-8-14(17)13(9-12)15-18-16(22)20(19-15)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,22)