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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O3S/c1-2-3-11-22-14(20)12-23-16-18-17-15(21)19(16)10-9-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,21)