azanyl-[2-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-quinolin-7-yl]-oxidanylidene-azanium

Systemtic Name: azanyl-[2-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-quinolin-7-yl]-oxidanylidene-azanium Openeye Name: amino-[2-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-7-quinolyl]-oxo-ammonium CAS Name: amino-[2-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]-5-nitro-7-quinolinyl]-oxoammonium IUPAC Name: amino-[2-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinolin-7-yl]-oxoazanium Traditional Name: amino-keto-[2-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]-5-nitro-7-quinolyl]ammonium Formula: C13H12N7O3S+ MolecularWeight: 346.34448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2SC3=NN=CN3C)[N+](=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2SC3=NN=CN3C)[N+](=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N7O3S/c1-7-3-4-8-9(20(22)23)5-10(19(14)21)12(11(8)16-7)24-13-17-15-6-18(13)2/h3-6H,1-2H3,(H2,14,21)/q+1