1-methyl-4-phenylsulfanyl-benzene; propanenitrile

Systemtic Name: 1-methyl-4-phenylsulfanyl-benzene; propanenitrile Openeye Name: 1-methyl-4-phenylsulfanyl-benzene; propanenitrile CAS Name: 1-methyl-4-(phenylthio)benzene; propanenitrile IUPAC Name: 1-methyl-4-phenylsulfanylbenzene; propanenitrile Traditional Name: 1-methyl-4-(phenylthio)benzene; propionitrile Formula: C16H17NS MolecularWeight: 255.37788

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Descriptors Computed from Structure

Canonical SMILES:

CCC#N.CC1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CCC#N.CC1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C13H12S.C3H5N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-2-3-4/h2-10H,1H3;2H2,1H3