1-[[2-(phenylmethylsulfanyl)phenyl]methyl]pyrrole-2-carbonitrile

Systemtic Name: 1-[[2-(phenylmethylsulfanyl)phenyl]methyl]pyrrole-2-carbonitrile Openeye Name: 1-[(2-benzylsulfanylphenyl)methyl]pyrrole-2-carbonitrile CAS Name: 1-[[2-(phenylmethylthio)phenyl]methyl]-2-pyrrolecarbonitrile IUPAC Name: 1-[(2-benzylsulfanylphenyl)methyl]pyrrole-2-carbonitrile Traditional Name: 1-[2-(benzylthio)benzyl]pyrrole-2-carbonitrile Formula: C19H16N2S MolecularWeight: 304.40874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2CN3C=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2CN3C=CC=C3C#N

InChI

InChI=1S/C19H16N2S/c20-13-18-10-6-12-21(18)14-17-9-4-5-11-19(17)22-15-16-7-2-1-3-8-16/h1-12H,14-15H2