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

Systemtic Name: ethyl 4-[5-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-2-22-15(21)12-5-3-11(4-6-12)14-8-7-13(23-14)9-18-20-10-17-19-16(20)24/h3-8,10,18H,2,9H2,1H3,(H,19,24)