7-(2-azanylethylamino)-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione

Systemtic Name: 7-(2-azanylethylamino)-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione Openeye Name: 7-(2-aminoethylamino)-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione CAS Name: 7-(2-aminoethylamino)-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione IUPAC Name: 7-(2-aminoethylamino)-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-dione Traditional Name: 7-(2-aminoethylamino)-6,7-diisothiocyanato-3,6-dihydro-2H-phthalazine-1,4-quinone Formula: C12H12N6O2S2 MolecularWeight: 336.39268

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(C1N=C=S)(NCCN)N=C=S)C(=O)NNC2=O

Isomeric SMILES

C1=C2C(=CC(C1N=C=S)(NCCN)N=C=S)C(=O)NNC2=O

InChI

InChI=1S/C12H12N6O2S2/c13-1-2-15-12(16-6-22)4-8-7(3-9(12)14-5-21)10(19)17-18-11(8)20/h3-4,9,15H,1-2,13H2,(H,17,19)(H,18,20)