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

Systemtic Name: butyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: butyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid butyl ester IUPAC Name: butyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid butyl ester Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=N1)C

Isomeric SMILES

CCCCOC(=O)CSC1=NNC(=N1)C

InChI

InChI=1S/C9H15N3O2S/c1-3-4-5-14-8(13)6-15-9-10-7(2)11-12-9/h3-6H2,1-2H3,(H,10,11,12)