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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-[(4-chlorophenyl)methylsulfonyl]-5-methyl-isothiazole-4-carbonitrile CAS Name: 3-[(4-chlorophenyl)methylsulfonyl]-5-methyl-4-isothiazolecarbonitrile IUPAC Name: 3-[(4-chlorophenyl)methylsulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(4-chlorobenzyl)sulfonyl-5-methyl-isothiazole-4-carbonitrile Formula: C12H9ClN2O2S2 MolecularWeight: 312.79506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)S(=O)(=O)CC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC1=C(C(=NS1)S(=O)(=O)CC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C12H9ClN2O2S2/c1-8-11(6-14)12(15-18-8)19(16,17)7-9-2-4-10(13)5-3-9/h2-5H,7H2,1H3