5-ethyl-1-phenyl-2-sulfanyl-pyrrole-3-carbonitrile

Systemtic Name: 5-ethyl-1-phenyl-2-sulfanyl-pyrrole-3-carbonitrile Openeye Name: 5-ethyl-1-phenyl-2-sulfanyl-pyrrole-3-carbonitrile CAS Name: 5-ethyl-2-mercapto-1-phenyl-3-pyrrolecarbonitrile IUPAC Name: 5-ethyl-1-phenyl-2-sulfanylpyrrole-3-carbonitrile Traditional Name: 5-ethyl-2-mercapto-1-phenyl-pyrrole-3-carbonitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N1C2=CC=CC=C2)S)C#N

Isomeric SMILES

CCC1=CC(=C(N1C2=CC=CC=C2)S)C#N

InChI

InChI=1S/C13H12N2S/c1-2-11-8-10(9-14)13(16)15(11)12-6-4-3-5-7-12/h3-8,16H,2H2,1H3