4-[6-azanyl-5-(2-methylphenyl)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[6-azanyl-5-(2-methylphenyl)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[[6-amino-5-(o-tolyl)-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[6-amino-5-(2-methylphenyl)-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[6-amino-5-(2-methylphenyl)pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[[6-amino-5-(o-tolyl)-3-pyridyl]sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C18H16N2O4S3 MolecularWeight: 420.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CN=C2N)S(=O)(=O)C3=C(SC(=C3)C(=O)O)SC

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CN=C2N)S(=O)(=O)C3=C(SC(=C3)C(=O)O)SC

InChI

InChI=1S/C18H16N2O4S3/c1-10-5-3-4-6-12(10)13-7-11(9-20-16(13)19)27(23,24)15-8-14(17(21)22)26-18(15)25-2/h3-9H,1-2H3,(H2,19,20)(H,21,22)