4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-bromo-4,5-dimethoxy-benzyl)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C17H17BrN4O2S MolecularWeight: 421.31148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C17H17BrN4O2S/c1-23-14-9-11(8-13(18)15(14)24-2)10-19-22-16(20-21-17(22)25)12-6-4-3-5-7-12/h3-9,19H,10H2,1-2H3,(H,21,25)