7-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]-1-methyl-3,4-dihydro-2H-quinazoline-4-carboxylic acid

Systemtic Name: 7-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]-1-methyl-3,4-dihydro-2H-quinazoline-4-carboxylic acid Openeye Name: 7-(3,5-dithioxo-1,2,4-triazolidin-4-yl)-1-methyl-3,4-dihydro-2H-quinazoline-4-carboxylic acid CAS Name: 7-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]-1-methyl-3,4-dihydro-2H-quinazoline-4-carboxylic acid IUPAC Name: 7-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]-1-methyl-3,4-dihydro-2H-quinazoline-4-carboxylic acid Traditional Name: 7-(3,5-dithioxo-1,2,4-triazolidin-4-yl)-1-methyl-3,4-dihydro-2H-quinazoline-4-carboxylic acid Formula: C12H13N5O2S2 MolecularWeight: 323.39392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CNC(C2=C1C=C(C=C2)N3C(=S)NNC3=S)C(=O)O

Isomeric SMILES

CN1CNC(C2=C1C=C(C=C2)N3C(=S)NNC3=S)C(=O)O

InChI

InChI=1S/C12H13N5O2S2/c1-16-5-13-9(10(18)19)7-3-2-6(4-8(7)16)17-11(20)14-15-12(17)21/h2-4,9,13H,5H2,1H3,(H,14,20)(H,15,21)(H,18,19)