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

Systemtic Name: 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thenoic acid Formula: C11H11N3O2S2 MolecularWeight: 281.35394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C11H11N3O2S2/c15-10(16)8-4-3-7(18-8)5-17-11-12-9(13-14-11)6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H,12,13,14)