5-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[4-amino-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[[4-amino-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thenoic acid Formula: C13H12N4O2S3 MolecularWeight: 352.45498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NN=C(N2N)SCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CC2=NN=C(N2N)SCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C13H12N4O2S3/c14-17-11(6-8-2-1-5-20-8)15-16-13(17)21-7-9-3-4-10(22-9)12(18)19/h1-5H,6-7,14H2,(H,18,19)