(1-butyl-2-methylsulfanyl-pyrrol-3-yl)-phenyl-methanone

Systemtic Name: (1-butyl-2-methylsulfanyl-pyrrol-3-yl)-phenyl-methanone Openeye Name: (1-butyl-2-methylsulfanyl-pyrrol-3-yl)-phenyl-methanone CAS Name: [1-butyl-2-(methylthio)-3-pyrrolyl]-phenylmethanone IUPAC Name: (1-butyl-2-methylsulfanylpyrrol-3-yl)-phenylmethanone Traditional Name: [1-butyl-2-(methylthio)pyrrol-3-yl]-phenyl-methanone Formula: C16H19NOS MolecularWeight: 273.39316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C1SC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C=CC(=C1SC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NOS/c1-3-4-11-17-12-10-14(16(17)19-2)15(18)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3