S-isoquinolin-1-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate

Systemtic Name: S-isoquinolin-1-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Openeye Name: S-(1-isoquinolyl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbothioic acid S-(1-isoquinolinyl) ester IUPAC Name: S-isoquinolin-1-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioic acid S-(1-isoquinolyl) ester Formula: C20H13ClN2O2S MolecularWeight: 380.84742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C20H13ClN2O2S/c1-12-17(18(23-25-12)15-8-4-5-9-16(15)21)20(24)26-19-14-7-3-2-6-13(14)10-11-22-19/h2-11H,1H3