4-(2-methylpropylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-(2-methylpropylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-(isobutylsulfanylmethyl)benzonitrile CAS Name: 4-[(2-methylpropylthio)methyl]benzonitrile IUPAC Name: 4-(2-methylpropylsulfanylmethyl)benzonitrile Traditional Name: 4-[(isobutylthio)methyl]benzonitrile Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)CSCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H15NS/c1-10(2)8-14-9-12-5-3-11(7-13)4-6-12/h3-6,10H,8-9H2,1-2H3