3-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-chlorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C13H13ClN3O2S- MolecularWeight: 310.77922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])CC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-17-11(8-9-2-4-10(14)5-3-9)15-16-13(17)20-7-6-12(18)19/h2-5H,6-8H2,1H3,(H,18,19)/p-1