ethyl 2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C12H21N3O2S MolecularWeight: 271.37904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)OCC)C(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)OCC)C(C)C

InChI

InChI=1S/C12H21N3O2S/c1-5-7-15-11(9(3)4)13-14-12(15)18-8-10(16)17-6-2/h9H,5-8H2,1-4H3