3-(2-azanyl-1-oxidanyl-ethyl)-2-ethyl-4-(3-propylsulfinylpropyl)benzenecarbonitrile

Systemtic Name: 3-(2-azanyl-1-oxidanyl-ethyl)-2-ethyl-4-(3-propylsulfinylpropyl)benzenecarbonitrile Openeye Name: 3-(2-amino-1-hydroxy-ethyl)-2-ethyl-4-(3-propylsulfinylpropyl)benzonitrile CAS Name: 3-(2-amino-1-hydroxyethyl)-2-ethyl-4-(3-propylsulfinylpropyl)benzonitrile IUPAC Name: 3-(2-amino-1-hydroxyethyl)-2-ethyl-4-(3-propylsulfinylpropyl)benzonitrile Traditional Name: 3-(2-amino-1-hydroxy-ethyl)-2-ethyl-4-(3-propylsulfinylpropyl)benzonitrile Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCCC1=C(C(=C(C=C1)C#N)CC)C(CN)O

Isomeric SMILES

CCCS(=O)CCCC1=C(C(=C(C=C1)C#N)CC)C(CN)O

InChI

InChI=1S/C17H26N2O2S/c1-3-9-22(21)10-5-6-13-7-8-14(11-18)15(4-2)17(13)16(20)12-19/h7-8,16,20H,3-6,9-10,12,19H2,1-2H3