2-butyl-4-(2-hydroxyethyl)-3-(3-propylsulfinylpropylamino)benzenecarbonitrile

Systemtic Name: 2-butyl-4-(2-hydroxyethyl)-3-(3-propylsulfinylpropylamino)benzenecarbonitrile Openeye Name: 2-butyl-4-(2-hydroxyethyl)-3-(3-propylsulfinylpropylamino)benzonitrile CAS Name: 2-butyl-4-(2-hydroxyethyl)-3-(3-propylsulfinylpropylamino)benzonitrile IUPAC Name: 2-butyl-4-(2-hydroxyethyl)-3-(3-propylsulfinylpropylamino)benzonitrile Traditional Name: 2-butyl-4-(2-hydroxyethyl)-3-(3-propylsulfinylpropylamino)benzonitrile Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1NCCCS(=O)CCC)CCO)C#N

Isomeric SMILES

CCCCC1=C(C=CC(=C1NCCCS(=O)CCC)CCO)C#N

InChI

InChI=1S/C19H30N2O2S/c1-3-5-7-18-17(15-20)9-8-16(10-12-22)19(18)21-11-6-14-24(23)13-4-2/h8-9,21-22H,3-7,10-14H2,1-2H3