1-methyl-5-phenylsulfanyl-pyrrole-3-carbonitrile

Systemtic Name: 1-methyl-5-phenylsulfanyl-pyrrole-3-carbonitrile Openeye Name: 1-methyl-5-phenylsulfanyl-pyrrole-3-carbonitrile CAS Name: 1-methyl-5-(phenylthio)-3-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-phenylsulfanylpyrrole-3-carbonitrile Traditional Name: 1-methyl-5-(phenylthio)pyrrole-3-carbonitrile Formula: C12H10N2S MolecularWeight: 214.2862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1SC2=CC=CC=C2)C#N

Isomeric SMILES

CN1C=C(C=C1SC2=CC=CC=C2)C#N

InChI

InChI=1S/C12H10N2S/c1-14-9-10(8-13)7-12(14)15-11-5-3-2-4-6-11/h2-7,9H,1H3