2-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]butanenitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]butanenitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]butanenitrile CAS Name: 2-[2-[(3,4-dimethoxyphenyl)thio]phenyl]butanenitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]butanenitrile Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)thio]phenyl]butyronitrile Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(C#N)C1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC

InChI

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