3-azanyl-2-(2-oxidanylpropoxy)-4-(1-propylsulfinylpropyl)benzenecarbonitrile

Systemtic Name: 3-azanyl-2-(2-oxidanylpropoxy)-4-(1-propylsulfinylpropyl)benzenecarbonitrile Openeye Name: 3-amino-2-(2-hydroxypropoxy)-4-(1-propylsulfinylpropyl)benzonitrile CAS Name: 3-amino-2-(2-hydroxypropoxy)-4-(1-propylsulfinylpropyl)benzonitrile IUPAC Name: 3-amino-2-(2-hydroxypropoxy)-4-(1-propylsulfinylpropyl)benzonitrile Traditional Name: 3-amino-2-(2-hydroxypropoxy)-4-(1-propylsulfinylpropyl)benzonitrile Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C(CC)C1=C(C(=C(C=C1)C#N)OCC(C)O)N

Isomeric SMILES

CCCS(=O)C(CC)C1=C(C(=C(C=C1)C#N)OCC(C)O)N

InChI

InChI=1S/C16H24N2O3S/c1-4-8-22(20)14(5-2)13-7-6-12(9-17)16(15(13)18)21-10-11(3)19/h6-7,11,14,19H,4-5,8,10,18H2,1-3H3