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

Systemtic Name: propan-2-yl 4-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[4-methyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-5-[[(4-methylphenyl)thio]methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-methyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid isopropyl ester Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C)SCC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C)SCC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C22H25N3O2S2/c1-15(2)27-21(26)18-9-7-17(8-10-18)13-29-22-24-23-20(25(22)4)14-28-19-11-5-16(3)6-12-19/h5-12,15H,13-14H2,1-4H3