4-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(3-bromo-4-methoxy-phenyl)methyleneamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(3-bromo-4-methoxy-benzylidene)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C15H12BrN5OS MolecularWeight: 390.25768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=NC=C3)Br

InChI

InChI=1S/C15H12BrN5OS/c1-22-13-3-2-10(8-12(13)16)9-18-21-14(19-20-15(21)23)11-4-6-17-7-5-11/h2-9H,1H3,(H,20,23)/b18-9+