2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-(3-propylsulfinylpropyl)benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-(3-propylsulfinylpropyl)benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-4-ethyl-3-(3-propylsulfinylpropyl)benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-4-ethyl-3-(3-propylsulfinylpropyl)benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-4-ethyl-3-(3-propylsulfinylpropyl)benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-4-ethyl-3-(3-propylsulfinylpropyl)benzonitrile Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCCC1=C(C=CC(=C1OCC(CN)O)C#N)CC

Isomeric SMILES

CCCS(=O)CCCC1=C(C=CC(=C1OCC(CN)O)C#N)CC

InChI

InChI=1S/C18H28N2O3S/c1-3-9-24(22)10-5-6-17-14(4-2)7-8-15(11-19)18(17)23-13-16(21)12-20/h7-8,16,21H,3-6,9-10,12-13,20H2,1-2H3