1-[4-(hydroxymethyl)phenyl]-5-methylsulfanyl-pyrrole-2-carbonitrile

Systemtic Name: 1-[4-(hydroxymethyl)phenyl]-5-methylsulfanyl-pyrrole-2-carbonitrile Openeye Name: 1-[4-(hydroxymethyl)phenyl]-5-methylsulfanyl-pyrrole-2-carbonitrile CAS Name: 1-[4-(hydroxymethyl)phenyl]-5-(methylthio)-2-pyrrolecarbonitrile IUPAC Name: 1-[4-(hydroxymethyl)phenyl]-5-methylsulfanylpyrrole-2-carbonitrile Traditional Name: 1-(4-methylolphenyl)-5-(methylthio)pyrrole-2-carbonitrile Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(N1C2=CC=C(C=C2)CO)C#N

Isomeric SMILES

CSC1=CC=C(N1C2=CC=C(C=C2)CO)C#N

InChI

InChI=1S/C13H12N2OS/c1-17-13-7-6-12(8-14)15(13)11-4-2-10(9-16)3-5-11/h2-7,16H,9H2,1H3