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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-allyloxy-3-bromo-5-methoxy-benzyl)amino]-1H-1,2,4-triazole-5-thione Formula: C13H15BrN4O2S MolecularWeight: 371.2528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN4O2S/c1-3-4-20-12-10(14)5-9(6-11(12)19-2)7-16-18-8-15-17-13(18)21/h3,5-6,8,16H,1,4,7H2,2H3,(H,17,21)