2-phenylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-phenylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-phenylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(phenylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-phenylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(phenylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=CC=CC=C2

InChI

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