2-[[4-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-methylallyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-methylallyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S/c1-10(2)8-17-13(11-6-4-3-5-7-11)15-16-14(17)20-9-12(18)19/h3-7H,1,8-9H2,2H3,(H,18,19)