4-[1-(3H-benzimidazol-5-yl)-2-sulfanyl-ethoxy]-3H-1,3-benzothiazole-2-thione

Systemtic Name: 4-[1-(3H-benzimidazol-5-yl)-2-sulfanyl-ethoxy]-3H-1,3-benzothiazole-2-thione Openeye Name: 4-[1-(3H-benzimidazol-5-yl)-2-sulfanyl-ethoxy]-3H-1,3-benzothiazole-2-thione CAS Name: 4-[1-(3H-benzimidazol-5-yl)-2-mercaptoethoxy]-3H-1,3-benzothiazole-2-thione IUPAC Name: 4-[1-(3H-benzimidazol-5-yl)-2-sulfanylethoxy]-3H-1,3-benzothiazole-2-thione Traditional Name: 4-[1-(3H-benzimidazol-5-yl)-2-mercapto-ethoxy]-3H-1,3-benzothiazole-2-thione Formula: C16H13N3OS3 MolecularWeight: 359.48892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=S)N2)OC(CS)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=S)N2)OC(CS)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C16H13N3OS3/c21-7-13(9-4-5-10-11(6-9)18-8-17-10)20-12-2-1-3-14-15(12)19-16(22)23-14/h1-6,8,13,21H,7H2,(H,17,18)(H,19,22)