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

Systemtic Name: 3-azanyl-5-ethyl-2-(2-oxidanylpropoxy)-4-(3-phenylsulfanylpropyl)benzenecarbonitrile Openeye Name: 3-amino-5-ethyl-2-(2-hydroxypropoxy)-4-(3-phenylsulfanylpropyl)benzonitrile CAS Name: 3-amino-5-ethyl-2-(2-hydroxypropoxy)-4-[3-(phenylthio)propyl]benzonitrile IUPAC Name: 3-amino-5-ethyl-2-(2-hydroxypropoxy)-4-(3-phenylsulfanylpropyl)benzonitrile Traditional Name: 3-amino-5-ethyl-2-(2-hydroxypropoxy)-4-[3-(phenylthio)propyl]benzonitrile Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C#N)OCC(C)O)N)CCCSC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C#N)OCC(C)O)N)CCCSC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-3-16-12-17(13-22)21(25-14-15(2)24)20(23)19(16)10-7-11-26-18-8-5-4-6-9-18/h4-6,8-9,12,15,24H,3,7,10-11,14,23H2,1-2H3