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

Systemtic Name: methyl 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C14H21N3O2S MolecularWeight: 295.40044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC=C)C2CCCCC2

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC=C)C2CCCCC2

InChI

InChI=1S/C14H21N3O2S/c1-3-9-17-13(11-7-5-4-6-8-11)15-16-14(17)20-10-12(18)19-2/h3,11H,1,4-10H2,2H3