5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)hydrazono]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(6-mesyl-1,3-benzothiazol-2-yl)hydrazono]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H9N5O4S3 MolecularWeight: 383.42596

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NN=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NN=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C12H9N5O4S3/c1-24(20,21)5-2-3-6-7(4-5)23-12(13-6)17-16-8-9(18)14-11(22)15-10(8)19/h2-4H,1H3,(H,13,17)(H2,14,15,18,19,22)