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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H17N3O3S/c1-10(2)8-18-14(11-4-6-12(21-3)7-5-11)16-17-15(18)22-9-13(19)20/h4-7H,1,8-9H2,2-3H3,(H,19,20)/p-1