4-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate Formula: C16H18N5O4S- MolecularWeight: 376.41022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NN2C(=NNC2=S)C3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N\N2C(=NNC2=S)C3CCCCC3

InChI

InChI=1S/C16H19N5O4S/c1-25-13-8-10(7-12(14(13)22)21(23)24)9-17-20-15(18-19-16(20)26)11-5-3-2-4-6-11/h7-9,11,22H,2-6H2,1H3,(H,19,26)/p-1/b17-9-