ethyl 4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H22N4O3S2/c1-2-27-18(26)11-6-12-21-17(25)14-29-20-23-22-19(16-10-7-13-28-16)24(20)15-8-4-3-5-9-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,21,25)