2-[N-(cyclohexylideneamino)-N'-phenyl-carbamimidoyl]sulfanylpyridine-4-carboxylic acid

Systemtic Name: 2-[N-(cyclohexylideneamino)-N'-phenyl-carbamimidoyl]sulfanylpyridine-4-carboxylic acid Openeye Name: 2-[N-(cyclohexylideneamino)-N'-phenyl-carbamimidoyl]sulfanylpyridine-4-carboxylic acid CAS Name: 2-[[(2-cyclohexylidenehydrazinyl)-phenyliminomethyl]thio]-4-pyridinecarboxylic acid IUPAC Name: 2-[N-(cyclohexylideneamino)-N'-phenylcarbamimidoyl]sulfanylpyridine-4-carboxylic acid Traditional Name: 2-[[N-(cyclohexylideneamino)-N'-phenyl-amidino]thio]isonicotinic acid Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=NC2=CC=CC=C2)SC3=NC=CC(=C3)C(=O)O)CC1

Isomeric SMILES

C1CCC(=NNC(=NC2=CC=CC=C2)SC3=NC=CC(=C3)C(=O)O)CC1

InChI

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