1-(2,4-dimethyl-5-phenylsulfanyl-1H-pyrrol-3-yl)heptane-1,6-dione

Systemtic Name: 1-(2,4-dimethyl-5-phenylsulfanyl-1H-pyrrol-3-yl)heptane-1,6-dione Openeye Name: 1-(2,4-dimethyl-5-phenylsulfanyl-1H-pyrrol-3-yl)heptane-1,6-dione CAS Name: 1-[2,4-dimethyl-5-(phenylthio)-1H-pyrrol-3-yl]heptane-1,6-dione IUPAC Name: 1-(2,4-dimethyl-5-phenylsulfanyl-1H-pyrrol-3-yl)heptane-1,6-dione Traditional Name: 1-[2,4-dimethyl-5-(phenylthio)-1H-pyrrol-3-yl]heptane-1,6-dione Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)CCCCC(=O)C)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)CCCCC(=O)C)C)SC2=CC=CC=C2

InChI

InChI=1S/C19H23NO2S/c1-13(21)9-7-8-12-17(22)18-14(2)19(20-15(18)3)23-16-10-5-4-6-11-16/h4-6,10-11,20H,7-9,12H2,1-3H3