4-[[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[2-(3,4-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]thio]methyl]benzonitrile Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSCC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSCC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C22H24N2O3S/c1-26-20-10-9-18(12-21(20)27-2)19-4-3-11-24(19)22(25)15-28-14-17-7-5-16(13-23)6-8-17/h5-10,12,19H,3-4,11,14-15H2,1-2H3