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

Systemtic Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-[[(5-cyclopropyl-4-methyl-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-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylate Formula: C16H15N4O3S2- MolecularWeight: 375.4453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NN=C(N3C)C4CC4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NN=C(N3C)C4CC4)C(=O)[O-]

InChI

InChI=1S/C16H16N4O3S2/c1-7-11-9(5-10(21)17-14(11)25-12(7)15(22)23)6-24-16-19-18-13(20(16)2)8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,17,21)(H,22,23)/p-1