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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-methylallyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-methylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3-methylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-methylallyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=C)C)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=C)C)SCC(=O)[O-]

InChI

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