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

Systemtic Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate IUPAC Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylate Formula: C15H13N4O3S2- MolecularWeight: 361.41872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NNC(=N3)C4CC4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NNC(=N3)C4CC4)C(=O)[O-]

InChI

InChI=1S/C15H14N4O3S2/c1-6-10-8(4-9(20)16-13(10)24-11(6)14(21)22)5-23-15-17-12(18-19-15)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,16,20)(H,21,22)(H,17,18,19)/p-1