1,1,1-tris(fluoranyl)-4-[2-methyl-1-(4-nitrophenyl)sulfanyl-indolizin-3-yl]but-3-en-2-one

Systemtic Name: 1,1,1-tris(fluoranyl)-4-[2-methyl-1-(4-nitrophenyl)sulfanyl-indolizin-3-yl]but-3-en-2-one Openeye Name: 1,1,1-trifluoro-4-[2-methyl-1-(4-nitrophenyl)sulfanyl-indolizin-3-yl]but-3-en-2-one CAS Name: 1,1,1-trifluoro-4-[2-methyl-1-[(4-nitrophenyl)thio]-3-indolizinyl]-3-buten-2-one IUPAC Name: 1,1,1-trifluoro-4-[2-methyl-1-(4-nitrophenyl)sulfanylindolizin-3-yl]but-3-en-2-one Traditional Name: 1,1,1-trifluoro-4-[2-methyl-1-[(4-nitrophenyl)thio]indolizin-3-yl]but-3-en-2-one Formula: C19H13F3N2O3S MolecularWeight: 406.37833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1SC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=O)C(F)(F)F

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1SC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=O)C(F)(F)F

InChI

InChI=1S/C19H13F3N2O3S/c1-12-15(9-10-17(25)19(20,21)22)23-11-3-2-4-16(23)18(12)28-14-7-5-13(6-8-14)24(26)27/h2-11H,1H3