3-methylspiro[1,4-dihydropyrazole-5,2'-benzo[f][1,3]benzodithiole]-4',9'-dione

Systemtic Name: 3-methylspiro[1,4-dihydropyrazole-5,2'-benzo[f][1,3]benzodithiole]-4',9'-dione Openeye Name: 3-methylspiro[1,4-dihydropyrazole-5,2'-benzo[f][1,3]benzodithiole]-4',9'-dione CAS Name: 3-methylspiro[1,4-dihydropyrazole-5,2'-benzo[f][1,3]benzodithiole]-4',9'-dione IUPAC Name: 3-methylspiro[1,4-dihydropyrazole-5,2'-benzo[f][1,3]benzodithiole]-4',9'-dione Traditional Name: 5-methylspiro[2-pyrazoline-3,2'-benzo[f][1,3]benzodithiole]-4',9'-quinone Formula: C14H10N2O2S2 MolecularWeight: 302.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC2(C1)SC3=C(S2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NNC2(C1)SC3=C(S2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C14H10N2O2S2/c1-7-6-14(16-15-7)19-12-10(17)8-4-2-3-5-9(8)11(18)13(12)20-14/h2-5,16H,6H2,1H3