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

Systemtic Name: 4-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-1H-1,2,4-triazole-5-thione Formula: C13H11ClN6S MolecularWeight: 318.78464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2C=NNC2=S)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=N/N2C=NNC2=S)Cl)C3=CC=CC=C3

InChI

InChI=1S/C13H11ClN6S/c1-9-11(7-16-19-8-15-17-13(19)21)12(14)20(18-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,21)/b16-7+