2-[(1R,2Z)-2-(phenylcarbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylic acid

Systemtic Name: 2-[(1R,2Z)-2-(phenylcarbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylic acid Openeye Name: 2-[(1R,2Z)-2-(phenylcarbamothioylhydrazono)cyclohexyl]pyridine-4-carboxylic acid CAS Name: 2-[(1R,2Z)-2-[[anilino(sulfanylidene)methyl]hydrazinylidene]cyclohexyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[(1R,2Z)-2-(phenylcarbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylic acid Traditional Name: 2-[(1R,2Z)-2-(phenylthiocarbamoylhydrazono)cyclohexyl]isonicotinic acid Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=S)NC2=CC=CC=C2)C(C1)C3=NC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC/C(=N/NC(=S)NC2=CC=CC=C2)/[C@H](C1)C3=NC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H20N4O2S/c24-18(25)13-10-11-20-17(12-13)15-8-4-5-9-16(15)22-23-19(26)21-14-6-2-1-3-7-14/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,24,25)(H2,21,23,26)/b22-16-/t15-/m0/s1