3-azanyl-2-butyl-4-(3-propylsulfinylpropyl)benzenecarbonitrile

Systemtic Name: 3-azanyl-2-butyl-4-(3-propylsulfinylpropyl)benzenecarbonitrile Openeye Name: 3-amino-2-butyl-4-(3-propylsulfinylpropyl)benzonitrile CAS Name: 3-amino-2-butyl-4-(3-propylsulfinylpropyl)benzonitrile IUPAC Name: 3-amino-2-butyl-4-(3-propylsulfinylpropyl)benzonitrile Traditional Name: 3-amino-2-butyl-4-(3-propylsulfinylpropyl)benzonitrile Formula: C17H26N2OS MolecularWeight: 306.46614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1N)CCCS(=O)CCC)C#N

Isomeric SMILES

CCCCC1=C(C=CC(=C1N)CCCS(=O)CCC)C#N

InChI

InChI=1S/C17H26N2OS/c1-3-5-8-16-15(13-18)10-9-14(17(16)19)7-6-12-21(20)11-4-2/h9-10H,3-8,11-12,19H2,1-2H3