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

Systemtic Name: ethyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyric acid ethyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-2-19-12(18)9-6-10-20-14-15-13(16-17-14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,16,17)