5-[[[2,4-bis(oxidanylidene)-1H-quinolin-3-ylidene]-oxidanyl-methyl]amino]-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: 5-[[[2,4-bis(oxidanylidene)-1H-quinolin-3-ylidene]-oxidanyl-methyl]amino]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-[[(2,4-dioxo-1H-quinolin-3-ylidene)-hydroxy-methyl]amino]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-[[(2,4-dioxo-1H-quinolin-3-ylidene)-hydroxymethyl]amino]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-[[(2,4-dioxo-1H-quinolin-3-ylidene)-hydroxymethyl]amino]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-[[(2,4-diketo-1H-quinolin-3-ylidene)-hydroxy-methyl]amino]-1,3,4-thiadiazole-2-sulfonamide Formula: C12H9N5O5S2 MolecularWeight: 367.36036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(NC3=NN=C(S3)S(=O)(=O)N)O)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(NC3=NN=C(S3)S(=O)(=O)N)O)C(=O)N2

InChI

InChI=1S/C12H9N5O5S2/c13-24(21,22)12-17-16-11(23-12)15-10(20)7-8(18)5-3-1-2-4-6(5)14-9(7)19/h1-4,20H,(H,14,19)(H,15,16)(H2,13,21,22)