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

Systemtic Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 4-[[(4-ethyl-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-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C14H14N4O3S2 MolecularWeight: 350.41596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=CC(=O)NC3=C2C(=C(S3)C(=O)O)C

Isomeric SMILES

CCN1C=NN=C1SCC2=CC(=O)NC3=C2C(=C(S3)C(=O)O)C

InChI

InChI=1S/C14H14N4O3S2/c1-3-18-6-15-17-14(18)22-5-8-4-9(19)16-12-10(8)7(2)11(23-12)13(20)21/h4,6H,3,5H2,1-2H3,(H,16,19)(H,20,21)