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

Systemtic Name: 4-[(4-bromanyl-3-methoxy-phenyl)methyl]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-benzyl-4-[(4-bromo-3-methoxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-bromo-3-methoxyphenyl)methyl]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-benzyl-4-[(4-bromo-3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-benzyl-4-(4-bromo-3-methoxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(=NNC2=S)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(=NNC2=S)CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H16BrN3OS/c1-22-15-9-13(7-8-14(15)18)11-21-16(19-20-17(21)23)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,23)