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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(p-tolyl)-2-(p-tolylmethyl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(4-methylbenzyl)-3-(p-tolyl)propionitrile Formula: C25H22N2S MolecularWeight: 382.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C)(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C)(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2S/c1-18-7-11-20(12-8-18)15-25(17-26,16-21-13-9-19(2)10-14-21)24-27-22-5-3-4-6-23(22)28-24/h3-14H,15-16H2,1-2H3