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

Systemtic Name: 4-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(2-chloro-5-nitro-phenyl)methyleneamino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(2-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(2-chloro-5-nitro-benzylidene)amino]-3-(2-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=NC(=C1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=NC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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