methyl 4-[5-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furyl]benzoic acid methyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNN3C=NNC3=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNN3C=NNC3=S

InChI

InChI=1S/C15H14N4O3S/c1-21-14(20)11-4-2-10(3-5-11)13-7-6-12(22-13)8-17-19-9-16-18-15(19)23/h2-7,9,17H,8H2,1H3,(H,18,23)