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

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-chloro-3-nitro-phenyl)methyleneamino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-chloro-3-nitro-benzylidene)amino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione Formula: C17H15ClN6O2S MolecularWeight: 402.858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN6O2S/c1-22(2)13-6-4-12(5-7-13)16-20-21-17(27)23(16)19-10-11-3-8-14(18)15(9-11)24(25)26/h3-10H,1-2H3,(H,21,27)