2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(4-methylsulfonylphenyl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(4-methylsulfonylphenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(4-mesylphenyl)thiazol-2-yl]acetonitrile Formula: C12H10N2O2S2 MolecularWeight: 278.35

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)CC#N

InChI

InChI=1S/C12H10N2O2S2/c1-18(15,16)10-4-2-9(3-5-10)11-8-17-12(14-11)6-7-13/h2-5,8H,6H2,1H3