methyl 4-[2-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]ethyl]benzoic acid methyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C19H20N4O3S2/c1-26-18(25)14-6-4-13(5-7-14)8-10-20-16(24)9-11-23-17(21-22-19(23)27)15-3-2-12-28-15/h2-7,12H,8-11H2,1H3,(H,20,24)(H,22,27)