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

Systemtic Name: 4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-bromo-4,5-dimethoxy-benzyl)amino]-1H-1,2,4-triazole-5-thione Formula: C11H13BrN4O2S MolecularWeight: 345.21552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrN4O2S/c1-17-9-4-7(3-8(12)10(9)18-2)5-14-16-6-13-15-11(16)19/h3-4,6,14H,5H2,1-2H3,(H,15,19)