1-[[3,5-bis(fluoranyl)phenyl]methyl]-6-methoxy-3-(2-nitrophenyl)sulfanyl-indole

Systemtic Name: 1-[[3,5-bis(fluoranyl)phenyl]methyl]-6-methoxy-3-(2-nitrophenyl)sulfanyl-indole Openeye Name: 1-[(3,5-difluorophenyl)methyl]-6-methoxy-3-(2-nitrophenyl)sulfanyl-indole CAS Name: 1-[(3,5-difluorophenyl)methyl]-6-methoxy-3-[(2-nitrophenyl)thio]indole IUPAC Name: 1-[(3,5-difluorophenyl)methyl]-6-methoxy-3-(2-nitrophenyl)sulfanylindole Traditional Name: 1-(3,5-difluorobenzyl)-6-methoxy-3-[(2-nitrophenyl)thio]indole Formula: C22H16F2N2O3S MolecularWeight: 426.435846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2CC3=CC(=CC(=C3)F)F)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2CC3=CC(=CC(=C3)F)F)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H16F2N2O3S/c1-29-17-6-7-18-20(11-17)25(12-14-8-15(23)10-16(24)9-14)13-22(18)30-21-5-3-2-4-19(21)26(27)28/h2-11,13H,12H2,1H3