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

Systemtic Name: 2-[[5-cyclopropyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-[4-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-[4-(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=C(C=C1)N2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S2/c1-20-11-6-4-10(5-7-11)17-13(9-2-3-9)15-16-14(17)21-8-12(18)19/h4-7,9H,2-3,8H2,1H3,(H,18,19)