3-[(3R,4S)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1H-benzimidazole-2-thione

Systemtic Name: 3-[(3R,4S)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1H-benzimidazole-2-thione Openeye Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]-1H-benzimidazole-2-thione CAS Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-benzimidazole-2-thione IUPAC Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl]-1H-benzimidazole-2-thione Traditional Name: 3-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]-1H-benzimidazole-2-thione Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4NC3=S)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4NC3=S)O)C

InChI

InChI=1S/C18H17N3O4S/c1-18(2)16(22)15(11-9-10(21(23)24)7-8-14(11)25-18)20-13-6-4-3-5-12(13)19-17(20)26/h3-9,15-16,22H,1-2H3,(H,19,26)/t15-,16+/m0/s1