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

Systemtic Name: methyl 2-[[4-methyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-isopropylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-methyl-5-p-cumenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)OC

InChI

InChI=1S/C15H19N3O2S/c1-10(2)11-5-7-12(8-6-11)14-16-17-15(18(14)3)21-9-13(19)20-4/h5-8,10H,9H2,1-4H3