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

Systemtic Name: propan-2-yl 2-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-methyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[[(4-methylphenyl)thio]methyl]-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C)SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C)SCC(=O)OC(C)C

InChI

InChI=1S/C16H21N3O2S2/c1-11(2)21-15(20)10-23-16-18-17-14(19(16)4)9-22-13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3