ethyl 4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate

Systemtic Name: ethyl 4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butyric acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O3S/c1-2-22-14(20)9-6-12-23-16-18-17-15(21)19(16)11-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,21)