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

Systemtic Name: methyl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-phenyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-methylphenyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC

InChI

InChI=1S/C19H19N3O2S2/c1-14-8-10-16(11-9-14)25-12-17-20-21-19(26-13-18(23)24-2)22(17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3