2-[(1R,2Z)-2-(carbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylate

Systemtic Name: 2-[(1R,2Z)-2-(carbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylate Openeye Name: 2-[(1R,2Z)-2-(carbamothioylhydrazono)cyclohexyl]pyridine-4-carboxylate CAS Name: 2-[(1R,2Z)-2-(carbamothioylhydrazinylidene)cyclohexyl]-4-pyridinecarboxylate IUPAC Name: 2-[(1R,2Z)-2-(carbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylate Traditional Name: 2-[(1R,2Z)-2-(thiocarbamoylhydrazono)cyclohexyl]isonicotinate Formula: C13H15N4O2S- MolecularWeight: 291.3488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=S)N)C(C1)C2=NC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CC/C(=N/NC(=S)N)/[C@H](C1)C2=NC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c14-13(20)17-16-10-4-2-1-3-9(10)11-7-8(12(18)19)5-6-15-11/h5-7,9H,1-4H2,(H,18,19)(H3,14,17,20)/p-1/b16-10-/t9-/m0/s1