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

Systemtic Name: methyl 2-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S2/c1-10-4-6-11(7-5-10)20-8-12-15-16-14(17(12)2)21-9-13(18)19-3/h4-7H,8-9H2,1-3H3