3H-1,3-benzothiazole-2-thione; 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole

Systemtic Name: 3H-1,3-benzothiazole-2-thione; 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole Openeye Name: 3H-1,3-benzothiazole-2-thione; 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole CAS Name: 3H-1,3-benzothiazole-2-thione; 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole IUPAC Name: 3H-1,3-benzothiazole-2-thione; 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole Traditional Name: 3H-1,3-benzothiazole-2-thione; 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole Formula: C21H13N3S6 MolecularWeight: 499.73802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=S)S2.C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=S)S2.C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C14H8N2S4.C7H5NS2/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14;9-7-8-5-3-1-2-4-6(5)10-7/h1-8H;1-4H,(H,8,9)