5-(3-methoxyphenyl)-3-methylsulfonyl-1,2-oxazole-4-carbonitrile

Systemtic Name: 5-(3-methoxyphenyl)-3-methylsulfonyl-1,2-oxazole-4-carbonitrile Openeye Name: 5-(3-methoxyphenyl)-3-methylsulfonyl-isoxazole-4-carbonitrile CAS Name: 5-(3-methoxyphenyl)-3-methylsulfonyl-4-isoxazolecarbonitrile IUPAC Name: 5-(3-methoxyphenyl)-3-methylsulfonyl-1,2-oxazole-4-carbonitrile Traditional Name: 3-mesyl-5-(3-methoxyphenyl)isoxazole-4-carbonitrile Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=NO2)S(=O)(=O)C)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=NO2)S(=O)(=O)C)C#N

InChI

InChI=1S/C12H10N2O4S/c1-17-9-5-3-4-8(6-9)11-10(7-13)12(14-18-11)19(2,15)16/h3-6H,1-2H3