4-[[5-(2-methylphenyl)-1,3-benzothiazol-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2-methylphenyl)-1,3-benzothiazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(o-tolyl)-1,3-benzothiazol-2-yl]methyl]benzonitrile CAS Name: 4-[[5-(2-methylphenyl)-1,3-benzothiazol-2-yl]methyl]benzonitrile IUPAC Name: 4-[[5-(2-methylphenyl)-1,3-benzothiazol-2-yl]methyl]benzonitrile Traditional Name: 4-[[5-(o-tolyl)-1,3-benzothiazol-2-yl]methyl]benzonitrile Formula: C22H16N2S MolecularWeight: 340.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)SC(=N3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)SC(=N3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H16N2S/c1-15-4-2-3-5-19(15)18-10-11-21-20(13-18)24-22(25-21)12-16-6-8-17(14-23)9-7-16/h2-11,13H,12H2,1H3