3-[4-(3-methylbutylsulfanyl)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-(3-methylbutylsulfanyl)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-isopentylsulfanylphenyl)-3-oxo-propanenitrile CAS Name: 3-[4-(3-methylbutylthio)phenyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(3-methylbutylsulfanyl)phenyl]-3-oxopropanenitrile Traditional Name: 3-[4-(isoamylthio)phenyl]-3-keto-propionitrile Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C(=O)CC#N

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)C(=O)CC#N

InChI

InChI=1S/C14H17NOS/c1-11(2)8-10-17-13-5-3-12(4-6-13)14(16)7-9-15/h3-6,11H,7-8,10H2,1-2H3