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

Systemtic Name: 2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H12ClN4O2S- MolecularWeight: 359.81008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

InChI

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