2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]acetic acid Formula: C16H10N2O2S3 MolecularWeight: 358.4578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CS3

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H10N2O2S3/c17-8-11-10(13-3-1-5-21-13)7-12(14-4-2-6-22-14)18-16(11)23-9-15(19)20/h1-7H,9H2,(H,19,20)