4-(propylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-(propylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-(propylsulfanylmethyl)benzonitrile CAS Name: 4-[(propylthio)methyl]benzonitrile IUPAC Name: 4-(propylsulfanylmethyl)benzonitrile Traditional Name: 4-[(propylthio)methyl]benzonitrile Formula: C11H13NS MolecularWeight: 191.29262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC=C(C=C1)C#N

Isomeric SMILES

CCCSCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H13NS/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h3-6H,2,7,9H2,1H3