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

Systemtic Name: 4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-bromo-4-ethoxy-5-methoxy-benzyl)amino]-1H-1,2,4-triazole-5-thione Formula: C12H15BrN4O2S MolecularWeight: 359.2421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNN2C=NNC2=S)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNN2C=NNC2=S)OC

InChI

InChI=1S/C12H15BrN4O2S/c1-3-19-11-9(13)4-8(5-10(11)18-2)6-15-17-7-14-16-12(17)20/h4-5,7,15H,3,6H2,1-2H3,(H,16,20)