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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-allyloxy-3-bromo-5-methoxy-benzyl)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O2S/c1-3-9-26-17-15(20)10-13(11-16(17)25-2)12-21-24-18(22-23-19(24)27)14-7-5-4-6-8-14/h3-8,10-11,21H,1,9,12H2,2H3,(H,23,27)