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

Systemtic Name: ethyl 2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C12H19N3O2S MolecularWeight: 269.36316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)C(C)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)C(C)C

InChI

InChI=1S/C12H19N3O2S/c1-5-7-15-11(9(3)4)13-14-12(15)18-8-10(16)17-6-2/h5,9H,1,6-8H2,2-4H3