3-(1,3-benzothiazol-2-ylmethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dithione

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dithione Openeye Name: 3-(1,3-benzothiazol-2-ylmethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dithione CAS Name: 3-(1,3-benzothiazol-2-ylmethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dithione IUPAC Name: 3-(1,3-benzothiazol-2-ylmethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dithione Traditional Name: 3-(1,3-benzothiazol-2-ylmethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dithione Formula: C13H9N5S3 MolecularWeight: 331.43906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=C4C(=NC(=S)NC4=S)NN3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=C4C(=NC(=S)NC4=S)NN3

InChI

InChI=1S/C13H9N5S3/c19-12-10-7(17-18-11(10)15-13(20)16-12)5-9-14-6-3-1-2-4-8(6)21-9/h1-4H,5H2,(H3,15,16,17,18,19,20)