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

Systemtic Name: S-(1H-1,2,4-triazol-5-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Openeye Name: S-(1H-1,2,4-triazol-5-yl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbothioic acid S-(1H-1,2,4-triazol-5-yl) ester IUPAC Name: S-(1H-1,2,4-triazol-5-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioic acid S-(1H-1,2,4-triazol-5-yl) ester Formula: C13H9ClN4O2S MolecularWeight: 320.75416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=NC=NN3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=NC=NN3

InChI

InChI=1S/C13H9ClN4O2S/c1-7-10(12(19)21-13-15-6-16-17-13)11(18-20-7)8-4-2-3-5-9(8)14/h2-6H,1H3,(H,15,16,17)