1-(2-chloranyl-5-nitro-phenyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea Formula: C16H13ClFN3O2S2 MolecularWeight: 397.874723

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C=C(C=C2)F

InChI

InChI=1S/C16H13ClFN3O2S2/c17-12-3-2-10(21(22)23)8-14(12)20-16(24)19-13-5-6-25-15-4-1-9(18)7-11(13)15/h1-4,7-8,13H,5-6H2,(H2,19,20,24)/t13-/m0/s1