2-[[4-(3-chloranyl-4-methyl-phenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CN=CC=C3)Cl

InChI

InChI=1S/C16H13ClN4O2S/c1-10-4-5-12(7-13(10)17)21-15(11-3-2-6-18-8-11)19-20-16(21)24-9-14(22)23/h2-8H,9H2,1H3,(H,22,23)