2-[[5-cyclopropyl-4-(3-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-cyclopropyl-4-(3-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(3-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-[3-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(3-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-[3-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

CSC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C14H15N3O2S2/c1-20-11-4-2-3-10(7-11)17-13(9-5-6-9)15-16-14(17)21-8-12(18)19/h2-4,7,9H,5-6,8H2,1H3,(H,18,19)