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

Systemtic Name: 3-azanyl-5-ethyl-4-(4-ethylsulfanylbutyl)-2-(2-oxidanylpropoxy)benzenecarbonitrile Openeye Name: 3-amino-5-ethyl-4-(4-ethylsulfanylbutyl)-2-(2-hydroxypropoxy)benzonitrile CAS Name: 3-amino-5-ethyl-4-[4-(ethylthio)butyl]-2-(2-hydroxypropoxy)benzonitrile IUPAC Name: 3-amino-5-ethyl-4-(4-ethylsulfanylbutyl)-2-(2-hydroxypropoxy)benzonitrile Traditional Name: 3-amino-5-ethyl-4-[4-(ethylthio)butyl]-2-(2-hydroxypropoxy)benzonitrile Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C#N)OCC(C)O)N)CCCCSCC

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C#N)OCC(C)O)N)CCCCSCC

InChI

InChI=1S/C18H28N2O2S/c1-4-14-10-15(11-19)18(22-12-13(3)21)17(20)16(14)8-6-7-9-23-5-2/h10,13,21H,4-9,12,20H2,1-3H3