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

Systemtic Name: propan-2-yl 4-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[4-allyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(4-methylphenyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-allyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid isopropyl ester Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C24H27N3O2S2/c1-5-14-27-22(16-30-21-12-6-18(4)7-13-21)25-26-24(27)31-15-19-8-10-20(11-9-19)23(28)29-17(2)3/h5-13,17H,1,14-16H2,2-4H3