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

Systemtic Name: butyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: butyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid butyl ester IUPAC Name: butyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid butyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-2-3-9-19-12(18)10-20-14-15-13(16-17-14)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,16,17)