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

Systemtic Name: tert-butyl 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C18H23N3O2S/c1-6-10-21-16(14-9-7-8-13(2)11-14)19-20-17(21)24-12-15(22)23-18(3,4)5/h6-9,11H,1,10,12H2,2-5H3