5-methyl-3-[(4-methylphenyl)methylsulfonyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-methyl-3-[(4-methylphenyl)methylsulfonyl]-1,2-thiazole-4-carbonitrile Openeye Name: 5-methyl-3-(p-tolylmethylsulfonyl)isothiazole-4-carbonitrile CAS Name: 5-methyl-3-[(4-methylphenyl)methylsulfonyl]-4-isothiazolecarbonitrile IUPAC Name: 5-methyl-3-[(4-methylphenyl)methylsulfonyl]-1,2-thiazole-4-carbonitrile Traditional Name: 5-methyl-3-(4-methylbenzyl)sulfonyl-isothiazole-4-carbonitrile Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NSC(=C2C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NSC(=C2C#N)C

InChI

InChI=1S/C13H12N2O2S2/c1-9-3-5-11(6-4-9)8-19(16,17)13-12(7-14)10(2)18-15-13/h3-6H,8H2,1-2H3