chloromethylbenzene; 2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-propanenitrile

Systemtic Name: chloromethylbenzene; 2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-propanenitrile Openeye Name: chloromethylbenzene; 2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)propanenitrile CAS Name: chloromethylbenzene; 2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]propanenitrile IUPAC Name: chloromethylbenzene; 2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanenitrile Traditional Name: chloromethylbenzene; 2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)propionitrile Formula: C25H26ClNO2S MolecularWeight: 439.99744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)(C#N)C2=CC(=C(C=C2)OC)OC.C1=CC=C(C=C1)CCl

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)(C#N)C2=CC(=C(C=C2)OC)OC.C1=CC=C(C=C1)CCl

InChI

InChI=1S/C18H19NO2S.C7H7Cl/c1-13-5-8-15(9-6-13)22-18(2,12-19)14-7-10-16(20-3)17(11-14)21-4;8-6-7-4-2-1-3-5-7/h5-11H,1-4H3;1-5H,6H2