1-[5-methyl-2-methylsulfanyl-1-(phenylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-methyl-2-methylsulfanyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 1-(1-benzyl-5-methyl-2-methylsulfanyl-pyrrol-3-yl)ethanone CAS Name: 1-[5-methyl-2-(methylthio)-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 1-(1-benzyl-5-methyl-2-methylsulfanylpyrrol-3-yl)ethanone Traditional Name: 1-[1-benzyl-5-methyl-2-(methylthio)pyrrol-3-yl]ethanone Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)SC)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)SC)C(=O)C

InChI

InChI=1S/C15H17NOS/c1-11-9-14(12(2)17)15(18-3)16(11)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3