4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 4-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 4-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid IUPAC Name: 4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 4-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H23N5O3S2 MolecularWeight: 445.55832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NN=C(N3C4CC4)N5CCCCC5)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NN=C(N3C4CC4)N5CCCCC5)C(=O)O

InChI

InChI=1S/C20H23N5O3S2/c1-11-15-12(9-14(26)21-17(15)30-16(11)18(27)28)10-29-20-23-22-19(25(20)13-5-6-13)24-7-3-2-4-8-24/h9,13H,2-8,10H2,1H3,(H,21,26)(H,27,28)