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

Systemtic Name: 5-methyl-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 5-methyl-3-(p-tolylmethylsulfanyl)isothiazole-4-carbonitrile CAS Name: 5-methyl-3-[(4-methylphenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 5-methyl-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 5-methyl-3-[(4-methylbenzyl)thio]isothiazole-4-carbonitrile Formula: C13H12N2S2 MolecularWeight: 260.37778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NSC(=C2C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NSC(=C2C#N)C

InChI

InChI=1S/C13H12N2S2/c1-9-3-5-11(6-4-9)8-16-13-12(7-14)10(2)17-15-13/h3-6H,8H2,1-2H3