azanyl-[8-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-5-nitro-quinolin-7-yl]-oxidanylidene-azanium

Systemtic Name: azanyl-[8-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-5-nitro-quinolin-7-yl]-oxidanylidene-azanium Openeye Name: amino-[8-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-5-nitro-7-quinolyl]-oxo-ammonium CAS Name: amino-[8-(1,3-benzoxazol-2-ylthio)-2-methyl-5-nitro-7-quinolinyl]-oxoammonium IUPAC Name: amino-[8-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-5-nitroquinolin-7-yl]-oxoazanium Traditional Name: amino-[8-(1,3-benzoxazol-2-ylthio)-2-methyl-5-nitro-7-quinolyl]-keto-ammonium Formula: C17H12N5O4S+ MolecularWeight: 382.37328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2SC3=NC4=CC=CC=C4O3)[N+](=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2SC3=NC4=CC=CC=C4O3)[N+](=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H12N5O4S/c1-9-6-7-10-12(22(24)25)8-13(21(18)23)16(15(10)19-9)27-17-20-11-4-2-3-5-14(11)26-17/h2-8H,1H3,(H2,18,23)/q+1