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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C#N)OCC(CN)O)CCCCS(=O)CC

Isomeric SMILES

CCC1=C(C(=C(C=C1)C#N)OCC(CN)O)CCCCS(=O)CC

InChI

InChI=1S/C18H28N2O3S/c1-3-14-8-9-15(11-19)18(23-13-16(21)12-20)17(14)7-5-6-10-24(22)4-2/h8-9,16,21H,3-7,10,12-13,20H2,1-2H3