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

Systemtic Name: 4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-bromo-4-ethoxy-5-methoxy-benzyl)amino]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C13H17BrN4O2S MolecularWeight: 373.26868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN4O2S/c1-4-20-12-10(14)5-9(6-11(12)19-3)7-15-18-8(2)16-17-13(18)21/h5-6,15H,4,7H2,1-3H3,(H,17,21)