3-azanyl-5-ethyl-2-(2-oxidanylpropoxy)-4-(3-propylsulfinylpropyl)benzenecarbonitrile

Systemtic Name: 3-azanyl-5-ethyl-2-(2-oxidanylpropoxy)-4-(3-propylsulfinylpropyl)benzenecarbonitrile Openeye Name: 3-amino-5-ethyl-2-(2-hydroxypropoxy)-4-(3-propylsulfinylpropyl)benzonitrile CAS Name: 3-amino-5-ethyl-2-(2-hydroxypropoxy)-4-(3-propylsulfinylpropyl)benzonitrile IUPAC Name: 3-amino-5-ethyl-2-(2-hydroxypropoxy)-4-(3-propylsulfinylpropyl)benzonitrile Traditional Name: 3-amino-5-ethyl-2-(2-hydroxypropoxy)-4-(3-propylsulfinylpropyl)benzonitrile Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCCC1=C(C=C(C(=C1N)OCC(C)O)C#N)CC

Isomeric SMILES

CCCS(=O)CCCC1=C(C=C(C(=C1N)OCC(C)O)C#N)CC

InChI

InChI=1S/C18H28N2O3S/c1-4-8-24(22)9-6-7-16-14(5-2)10-15(11-19)18(17(16)20)23-12-13(3)21/h10,13,21H,4-9,12,20H2,1-3H3