(3S)-3-(furan-2-ylmethylsulfanyl)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one

Systemtic Name: (3S)-3-(furan-2-ylmethylsulfanyl)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one Openeye Name: (3S)-3-(2-furylmethylsulfanyl)-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one CAS Name: (3S)-3-(2-furanylmethylthio)-1-(4-methylphenyl)-3-(4-nitrophenyl)-1-propanone IUPAC Name: (3S)-3-(furan-2-ylmethylsulfanyl)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one Traditional Name: (3S)-3-(2-furfurylthio)-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

InChI

InChI=1S/C21H19NO4S/c1-15-4-6-16(7-5-15)20(23)13-21(27-14-19-3-2-12-26-19)17-8-10-18(11-9-17)22(24)25/h2-12,21H,13-14H2,1H3/t21-/m0/s1