2-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-[(5-cyano-2-thiazolyl)amino]-4-pyridinyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methylthio]nicotinic acid Formula: C16H11N5O2S2 MolecularWeight: 369.42084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC(=NC=C2)NC3=NC=C(S3)C#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC(=NC=C2)NC3=NC=C(S3)C#N)C(=O)O

InChI

InChI=1S/C16H11N5O2S2/c17-7-11-8-20-16(25-11)21-13-6-10(3-5-18-13)9-24-14-12(15(22)23)2-1-4-19-14/h1-6,8H,9H2,(H,22,23)(H,18,20,21)