[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-isothiocyanato-methanone

Systemtic Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-isothiocyanato-methanone Openeye Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl isothiocyanate CAS Name: [3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-isothiocyanatomethanone IUPAC Name: 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl isothiocyanate Traditional Name: [3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-isothiocyanato-methanone Formula: C12H7ClN2O2S MolecularWeight: 278.71418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N=C=S

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N=C=S

InChI

InChI=1S/C12H7ClN2O2S/c1-7-10(12(16)14-6-18)11(15-17-7)8-4-2-3-5-9(8)13/h2-5H,1H3