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

Systemtic Name: S-(4-phenylpyrimidin-2-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Openeye Name: S-(4-phenylpyrimidin-2-yl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbothioic acid S-(4-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-phenylpyrimidin-2-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioic acid S-(4-phenylpyrimidin-2-yl) ester Formula: C21H14ClN3O2S MolecularWeight: 407.87276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=NC=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=NC=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H14ClN3O2S/c1-13-18(19(25-27-13)15-9-5-6-10-16(15)22)20(26)28-21-23-12-11-17(24-21)14-7-3-2-4-8-14/h2-12H,1H3