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

Systemtic Name: ethyl 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)C3=CN=CC=C3

InChI

InChI=1S/C17H15ClN4O2S/c1-2-24-15(23)11-25-17-21-20-16(12-5-4-8-19-10-12)22(17)14-7-3-6-13(18)9-14/h3-10H,2,11H2,1H3