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

Systemtic Name: (4-chlorophenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-chlorophenyl) 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-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 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-chlorophenyl) ester Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3=CC=C(C=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3=CC=C(C=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C21H15ClN4O2S/c22-16-8-10-18(11-9-16)28-19(27)14-29-21-25-24-20(15-5-4-12-23-13-15)26(21)17-6-2-1-3-7-17/h1-13H,14H2