2-azanyl-5-(4-butylsulfanylphenyl)benzenecarbonitrile

Systemtic Name: 2-azanyl-5-(4-butylsulfanylphenyl)benzenecarbonitrile Openeye Name: 2-amino-5-(4-butylsulfanylphenyl)benzonitrile CAS Name: 2-amino-5-[4-(butylthio)phenyl]benzonitrile IUPAC Name: 2-amino-5-(4-butylsulfanylphenyl)benzonitrile Traditional Name: 2-amino-5-[4-(butylthio)phenyl]benzonitrile Formula: C17H18N2S MolecularWeight: 282.40322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=CC(=C(C=C2)N)C#N

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=CC(=C(C=C2)N)C#N

InChI

InChI=1S/C17H18N2S/c1-2-3-10-20-16-7-4-13(5-8-16)14-6-9-17(19)15(11-14)12-18/h4-9,11H,2-3,10,19H2,1H3