2-[4-chloranyl-1-methyl-5-(4-methylsulfinylphenyl)carbonyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-chloranyl-1-methyl-5-(4-methylsulfinylphenyl)carbonyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-chloro-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[4-chloro-1-methyl-5-[(4-methylsulfinylphenyl)-oxomethyl]-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-chloro-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-[4-chloro-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetonitrile Formula: C15H13ClN2O2S MolecularWeight: 320.79392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)S(=O)C)Cl)CC#N

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)S(=O)C)Cl)CC#N

InChI

InChI=1S/C15H13ClN2O2S/c1-18-11(7-8-17)9-13(16)14(18)15(19)10-3-5-12(6-4-10)21(2)20/h3-6,9H,7H2,1-2H3