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

Systemtic Name: 4-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-chloro-3-nitro-benzylidene)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H9ClN6O2S MolecularWeight: 360.77826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NN2C(=NNC2=S)C3=CC=NC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=N/N2C(=NNC2=S)C3=CC=NC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9ClN6O2S/c15-11-2-1-9(7-12(11)21(22)23)8-17-20-13(18-19-14(20)24)10-3-5-16-6-4-10/h1-8H,(H,19,24)/b17-8+