4-[(E)-(2-bromophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(2-bromophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(2-bromophenyl)methyleneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(2-bromophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(2-bromophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(2-bromobenzylidene)amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Formula: C18H13BrN6S MolecularWeight: 425.30502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C/C4=CC=CC=C4Br

InChI

InChI=1S/C18H13BrN6S/c19-14-9-5-4-8-13(14)11-20-25-17(23-24-18(25)26)16-10-15(21-22-16)12-6-2-1-3-7-12/h1-11H,(H,21,22)(H,24,26)/b20-11+