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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-chloro-2-methyl-phenyl) 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-chloro-2-methyl-phenyl) ester Formula: C22H17ClN4O2S MolecularWeight: 436.91398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H17ClN4O2S/c1-15-12-17(23)9-10-19(15)29-20(28)14-30-22-26-25-21(16-6-5-11-24-13-16)27(22)18-7-3-2-4-8-18/h2-13H,14H2,1H3