[(4S)-2-azanyl-7,7-dimethyl-4-(4-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-chromen-3-yl]carbothioylazanium

Systemtic Name: [(4S)-2-azanyl-7,7-dimethyl-4-(4-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-chromen-3-yl]carbothioylazanium Openeye Name: [(4S)-2-amino-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carbothioyl]ammonium CAS Name: [[(4S)-2-amino-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-yl]-sulfanylidenemethyl]ammonium IUPAC Name: [(4S)-2-amino-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carbothioyl]azanium Traditional Name: [(4S)-2-amino-5-keto-7,7-dimethyl-4-(4-nitrophenyl)-6,8-dihydro-4H-chromene-3-carbothioyl]ammonium Formula: C18H20N3O4S+ MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C(=S)[NH3+])C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C(=C(O2)N)C(=S)[NH3+])C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C18H19N3O4S/c1-18(2)7-11(22)14-12(8-18)25-16(19)15(17(20)26)13(14)9-3-5-10(6-4-9)21(23)24/h3-6,13H,7-8,19H2,1-2H3,(H2,20,26)/p+1/t13-/m0/s1