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

Systemtic Name: ethyl 4-[5-[[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[[(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]-2-furyl]benzoic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1NCC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC1=NNC(=S)N1NCC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C19H22N4O3S/c1-3-5-17-21-22-19(27)23(17)20-12-15-10-11-16(26-15)13-6-8-14(9-7-13)18(24)25-4-2/h6-11,20H,3-5,12H2,1-2H3,(H,22,27)