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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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