[2,5-dimethyl-1-(2-phenylsulfanylethyl)pyrrol-3-yl]-phenyl-methanone

Systemtic Name: [2,5-dimethyl-1-(2-phenylsulfanylethyl)pyrrol-3-yl]-phenyl-methanone Openeye Name: [2,5-dimethyl-1-(2-phenylsulfanylethyl)pyrrol-3-yl]-phenyl-methanone CAS Name: [2,5-dimethyl-1-[2-(phenylthio)ethyl]-3-pyrrolyl]-phenylmethanone IUPAC Name: [2,5-dimethyl-1-(2-phenylsulfanylethyl)pyrrol-3-yl]-phenylmethanone Traditional Name: [2,5-dimethyl-1-[2-(phenylthio)ethyl]pyrrol-3-yl]-phenyl-methanone Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCSC2=CC=CC=C2)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCSC2=CC=CC=C2)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NOS/c1-16-15-20(21(23)18-9-5-3-6-10-18)17(2)22(16)13-14-24-19-11-7-4-8-12-19/h3-12,15H,13-14H2,1-2H3