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

Systemtic Name: ethyl 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NNC(=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCCSC1=NNC(=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H19N3O2S/c1-3-20-13(19)5-4-10-21-15-16-14(17-18-15)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,16,17,18)