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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C=C1)SC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(N(C=C1)SC)C(=O)C2=CC=CC=C2

InChI

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