2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]nicotinic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H19N3O3S/c22-16(13-25-17-15(18(23)24)7-4-8-19-17)21-11-9-20(10-12-21)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24)