3-[5-(chloromethyl)-2-methyl-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(chloromethyl)-2-methyl-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 3-[5-(chloromethyl)-2-methyl-thiazol-4-yl]benzonitrile CAS Name: 3-[5-(chloromethyl)-2-methyl-4-thiazolyl]benzonitrile IUPAC Name: 3-[5-(chloromethyl)-2-methyl-1,3-thiazol-4-yl]benzonitrile Traditional Name: 3-[5-(chloromethyl)-2-methyl-thiazol-4-yl]benzonitrile Formula: C12H9ClN2S MolecularWeight: 248.73126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)CCl)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=NC(=C(S1)CCl)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H9ClN2S/c1-8-15-12(11(6-13)16-8)10-4-2-3-9(5-10)7-14/h2-5H,6H2,1H3