2-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(1H-benzimidazol-2-ylthio)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(1H-benzimidazol-2-ylthio)ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H13N3O3S2/c20-15-11-5-1-4-8-14(11)24(21,22)19(15)9-10-23-16-17-12-6-2-3-7-13(12)18-16/h1-8H,9-10H2,(H,17,18)