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

Systemtic Name: methyl 4-[5-[[(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-3-4-16-20-21-18(26)22(16)19-11-14-9-10-15(25-14)12-5-7-13(8-6-12)17(23)24-2/h5-10,19H,3-4,11H2,1-2H3,(H,21,26)