2-(2-oxidanylpropoxy)-4-(3-propylsulfinylpentylamino)benzenecarbonitrile

Systemtic Name: 2-(2-oxidanylpropoxy)-4-(3-propylsulfinylpentylamino)benzenecarbonitrile Openeye Name: 2-(2-hydroxypropoxy)-4-(3-propylsulfinylpentylamino)benzonitrile CAS Name: 2-(2-hydroxypropoxy)-4-(3-propylsulfinylpentylamino)benzonitrile IUPAC Name: 2-(2-hydroxypropoxy)-4-(3-propylsulfinylpentylamino)benzonitrile Traditional Name: 2-(2-hydroxypropoxy)-4-(3-propylsulfinylpentylamino)benzonitrile Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C(CC)CCNC1=CC(=C(C=C1)C#N)OCC(C)O

Isomeric SMILES

CCCS(=O)C(CC)CCNC1=CC(=C(C=C1)C#N)OCC(C)O

InChI

InChI=1S/C18H28N2O3S/c1-4-10-24(22)17(5-2)8-9-20-16-7-6-15(12-19)18(11-16)23-13-14(3)21/h6-7,11,14,17,20-21H,4-5,8-10,13H2,1-3H3