1-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-[(4R)-8-fluorothiochroman-4-yl]-3-(3-nitrophenyl)urea CAS Name: 1-[(4R)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[(4R)-8-fluorothiochroman-4-yl]-3-(3-nitrophenyl)urea Formula: C16H14FN3O3S MolecularWeight: 347.364063

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C=CC=C2F

Isomeric SMILES

C1CSC2=C([C@@H]1NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C=CC=C2F

InChI

InChI=1S/C16H14FN3O3S/c17-13-6-2-5-12-14(7-8-24-15(12)13)19-16(21)18-10-3-1-4-11(9-10)20(22)23/h1-6,9,14H,7-8H2,(H2,18,19,21)/t14-/m1/s1