3-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-2-thenoic acid Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C12H14N4O3S2/c1-7(2)16-6-13-15-12(16)21-5-9(17)14-8-3-4-20-10(8)11(18)19/h3-4,6-7H,5H2,1-2H3,(H,14,17)(H,18,19)