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

Systemtic Name: 2-[4-chloranyl-5-(4-methanethioylphenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-chloro-5-(4-methanethioylbenzoyl)-1-methyl-pyrrol-2-yl]acetonitrile CAS Name: 2-[4-chloro-5-[(4-methanethioylphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-chloro-5-(4-methanethioylbenzoyl)-1-methylpyrrol-2-yl]acetonitrile Traditional Name: 2-[4-chloro-1-methyl-5-(4-thioformylbenzoyl)pyrrol-2-yl]acetonitrile Formula: C15H11ClN2OS MolecularWeight: 302.77864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2OS/c1-18-12(6-7-17)8-13(16)14(18)15(19)11-4-2-10(9-20)3-5-11/h2-5,8-9H,6H2,1H3