2-(3-oxidanylpropoxy)-3-(3-propylsulfinylpentylamino)benzenecarbonitrile

Systemtic Name: 2-(3-oxidanylpropoxy)-3-(3-propylsulfinylpentylamino)benzenecarbonitrile Openeye Name: 2-(3-hydroxypropoxy)-3-(3-propylsulfinylpentylamino)benzonitrile CAS Name: 2-(3-hydroxypropoxy)-3-(3-propylsulfinylpentylamino)benzonitrile IUPAC Name: 2-(3-hydroxypropoxy)-3-(3-propylsulfinylpentylamino)benzonitrile Traditional Name: 2-(3-hydroxypropoxy)-3-(3-propylsulfinylpentylamino)benzonitrile Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C(CC)CCNC1=CC=CC(=C1OCCCO)C#N

Isomeric SMILES

CCCS(=O)C(CC)CCNC1=CC=CC(=C1OCCCO)C#N

InChI

InChI=1S/C18H28N2O3S/c1-3-13-24(22)16(4-2)9-10-20-17-8-5-7-15(14-19)18(17)23-12-6-11-21/h5,7-8,16,20-21H,3-4,6,9-13H2,1-2H3