5-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-amino-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-amino-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furoate Formula: C13H11N4O3S2- MolecularWeight: 335.38144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C13H12N4O3S2/c14-17-11(6-9-2-1-5-21-9)15-16-13(17)22-7-8-3-4-10(20-8)12(18)19/h1-5H,6-7,14H2,(H,18,19)/p-1