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

Systemtic Name: methyl 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-4-9-18-14(12-7-5-11(2)6-8-12)16-17-15(18)21-10-13(19)20-3/h4-8H,1,9-10H2,2-3H3