7-(4-methylphenyl)-5-methylsulfanyl-2-phenyl-1,3-benzothiazole-4-carbonitrile

Systemtic Name: 7-(4-methylphenyl)-5-methylsulfanyl-2-phenyl-1,3-benzothiazole-4-carbonitrile Openeye Name: 5-methylsulfanyl-2-phenyl-7-(p-tolyl)-1,3-benzothiazole-4-carbonitrile CAS Name: 7-(4-methylphenyl)-5-(methylthio)-2-phenyl-1,3-benzothiazole-4-carbonitrile IUPAC Name: 7-(4-methylphenyl)-5-methylsulfanyl-2-phenyl-1,3-benzothiazole-4-carbonitrile Traditional Name: 5-(methylthio)-2-phenyl-7-(p-tolyl)-1,3-benzothiazole-4-carbonitrile Formula: C22H16N2S2 MolecularWeight: 372.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C3=C2SC(=N3)C4=CC=CC=C4)C#N)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C3=C2SC(=N3)C4=CC=CC=C4)C#N)SC

InChI

InChI=1S/C22H16N2S2/c1-14-8-10-15(11-9-14)17-12-19(25-2)18(13-23)20-21(17)26-22(24-20)16-6-4-3-5-7-16/h3-12H,1-2H3