2-methoxy-4-[(Z)-[[(1S,2S)-2-methylcyclohexyl]carbamothioylhydrazinylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(Z)-[[(1S,2S)-2-methylcyclohexyl]carbamothioylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(Z)-[[(1S,2S)-2-methylcyclohexyl]carbamothioylhydrazono]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(Z)-[[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(Z)-[[(1S,2S)-2-methylcyclohexyl]carbamothioylhydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(Z)-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoylhydrazono]methyl]-6-nitro-phenolate Formula: C16H21N4O4S- MolecularWeight: 365.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NN=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N/N=C\C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4S/c1-10-5-3-4-6-12(10)18-16(25)19-17-9-11-7-13(20(22)23)15(21)14(8-11)24-2/h7-10,12,21H,3-6H2,1-2H3,(H2,18,19,25)/p-1/b17-9-/t10-,12-/m0/s1