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

Systemtic Name: methyl 4-[5-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methyl]-2-furyl]benzoic acid methyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3S/c1-27-19(26)15-4-2-13(3-5-15)17-7-6-16(28-17)12-22-25-18(23-24-20(25)29)14-8-10-21-11-9-14/h2-11,22H,12H2,1H3,(H,24,29)