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

Systemtic Name: propan-2-yl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-allyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-methylphenyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S2/c1-5-10-21-16(11-24-15-8-6-14(4)7-9-15)19-20-18(21)25-12-17(22)23-13(2)3/h5-9,13H,1,10-12H2,2-4H3