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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl]propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl]propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl]propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl]propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(3-chlorobenzyl)-3-(3-chlorophenyl)propionitrile Formula: C23H16Cl2N2S MolecularWeight: 423.35754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CC3=CC(=CC=C3)Cl)(CC4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CC3=CC(=CC=C3)Cl)(CC4=CC(=CC=C4)Cl)C#N

InChI

InChI=1S/C23H16Cl2N2S/c24-18-7-3-5-16(11-18)13-23(15-26,14-17-6-4-8-19(25)12-17)22-27-20-9-1-2-10-21(20)28-22/h1-12H,13-14H2