3-(propylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(propylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(propylsulfanylmethyl)benzonitrile CAS Name: 3-[(propylthio)methyl]benzonitrile IUPAC Name: 3-(propylsulfanylmethyl)benzonitrile Traditional Name: 3-[(propylthio)methyl]benzonitrile Formula: C11H13NS MolecularWeight: 191.29262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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