2-[2-(benzotriazol-1-yl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(benzotriazol-1-yl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(1-benzotriazolyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(benzotriazol-1-yl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(benzotriazol-1-yl)ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C15H12N4O3S/c20-15-11-5-1-4-8-14(11)23(21,22)19(15)10-9-18-13-7-3-2-6-12(13)16-17-18/h1-8H,9-10H2