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

Systemtic Name: 2-[[5-[[(3-chlorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CNC2=CC(=CC=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CNC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H13ClN4O2S/c1-17-10(15-16-12(17)20-7-11(18)19)6-14-9-4-2-3-8(13)5-9/h2-5,14H,6-7H2,1H3,(H,18,19)