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

Systemtic Name: methyl 4-[5-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-27-20(26)16-9-7-14(8-10-16)18-12-11-17(28-18)13-22-25-19(23-24-21(25)29)15-5-3-2-4-6-15/h2-12,22H,13H2,1H3,(H,24,29)