ethyl 4-[5-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furyl]benzoic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNN3C(=NNC3=S)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNN3C(=NNC3=S)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-2-28-21(27)17-10-8-15(9-11-17)19-13-12-18(29-19)14-23-26-20(24-25-22(26)30)16-6-4-3-5-7-16/h3-13,23H,2,14H2,1H3,(H,25,30)