4-[(Z)-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Formula: C17H20N5O3S- MolecularWeight: 374.4374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NNC(=S)N2N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC2=NNC(=S)N2/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3S/c23-15-8-6-13(10-14(15)22(24)25)11-18-21-16(19-20-17(21)26)9-7-12-4-2-1-3-5-12/h6,8,10-12,23H,1-5,7,9H2,(H,20,26)/p-1/b18-11-