2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4-allyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-[[(4-methylphenyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-allyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]propionic acid Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SC(C)C(=O)O

InChI

InChI=1S/C16H19N3O2S2/c1-4-9-19-14(10-22-13-7-5-11(2)6-8-13)17-18-16(19)23-12(3)15(20)21/h4-8,12H,1,9-10H2,2-3H3,(H,20,21)