3-(2-pyrrol-1-ylphenyl)sulfanylpropanenitrile

Systemtic Name: 3-(2-pyrrol-1-ylphenyl)sulfanylpropanenitrile Openeye Name: 3-(2-pyrrol-1-ylphenyl)sulfanylpropanenitrile CAS Name: 3-[[2-(1-pyrrolyl)phenyl]thio]propanenitrile IUPAC Name: 3-(2-pyrrol-1-ylphenyl)sulfanylpropanenitrile Traditional Name: 3-[(2-pyrrol-1-ylphenyl)thio]propionitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C=CC=C2)SCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)N2C=CC=C2)SCCC#N

InChI

InChI=1S/C13H12N2S/c14-8-5-11-16-13-7-2-1-6-12(13)15-9-3-4-10-15/h1-4,6-7,9-10H,5,11H2