(1-butyl-5-methyl-2-methylsulfanyl-pyrrol-3-yl)-phenyl-methanone

Systemtic Name: (1-butyl-5-methyl-2-methylsulfanyl-pyrrol-3-yl)-phenyl-methanone Openeye Name: (1-butyl-5-methyl-2-methylsulfanyl-pyrrol-3-yl)-phenyl-methanone CAS Name: [1-butyl-5-methyl-2-(methylthio)-3-pyrrolyl]-phenylmethanone IUPAC Name: (1-butyl-5-methyl-2-methylsulfanylpyrrol-3-yl)-phenylmethanone Traditional Name: [1-butyl-5-methyl-2-(methylthio)pyrrol-3-yl]-phenyl-methanone Formula: C17H21NOS MolecularWeight: 287.41974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NOS/c1-4-5-11-18-13(2)12-15(17(18)20-3)16(19)14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3