4-(3-phenylpropylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-(3-phenylpropylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-(3-phenylpropylsulfanylmethyl)benzonitrile CAS Name: 4-[(3-phenylpropylthio)methyl]benzonitrile IUPAC Name: 4-(3-phenylpropylsulfanylmethyl)benzonitrile Traditional Name: 4-[(3-phenylpropylthio)methyl]benzonitrile Formula: C17H17NS MolecularWeight: 267.38858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCSCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17NS/c18-13-16-8-10-17(11-9-16)14-19-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12,14H2