5-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-2-thenoic acid Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)NC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)NC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C12H12N4O3S2/c17-9(14-10-4-3-8(21-10)11(18)19)5-20-12-15-13-6-16(12)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,14,17)(H,18,19)