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

Systemtic Name: ethyl 4-[5-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3S/c1-2-28-20(27)16-5-3-14(4-6-16)18-8-7-17(29-18)13-23-26-19(24-25-21(26)30)15-9-11-22-12-10-15/h3-12,23H,2,13H2,1H3,(H,25,30)