ethyl 2-[(2-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(2-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(2-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(2-butyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(2-butyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C10H17N3O2S MolecularWeight: 243.32588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC=N1)SCC(=O)OCC

Isomeric SMILES

CCCCN1C(=NC=N1)SCC(=O)OCC

InChI

InChI=1S/C10H17N3O2S/c1-3-5-6-13-10(11-8-12-13)16-7-9(14)15-4-2/h8H,3-7H2,1-2H3