[2-chloranyl-4-fluoranyl-5-(3-oxidanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl] 2-sulfanylidenebutanoate

Systemtic Name: [2-chloranyl-4-fluoranyl-5-(3-oxidanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl] 2-sulfanylidenebutanoate Openeye Name: [2-chloro-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl] 2-thioxobutanoate CAS Name: 2-sulfanylidenebutanoic acid [2-chloro-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl] ester IUPAC Name: [2-chloro-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl] 2-sulfanylidenebutanoate Traditional Name: 2-thioxobutyric acid [2-chloro-4-fluoro-5-(3-keto-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl] ester Formula: C16H15ClFN3O3S MolecularWeight: 383.825003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C(=O)OC1=C(C=C(C(=C1)N2C(=O)N3CCCCC3=N2)F)Cl

Isomeric SMILES

CCC(=S)C(=O)OC1=C(C=C(C(=C1)N2C(=O)N3CCCCC3=N2)F)Cl

InChI

InChI=1S/C16H15ClFN3O3S/c1-2-13(25)15(22)24-12-8-11(10(18)7-9(12)17)21-16(23)20-6-4-3-5-14(20)19-21/h7-8H,2-6H2,1H3