2-(benzotriazol-1-ylmethyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(benzotriazol-1-ylmethyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(benzotriazol-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(1-benzotriazolylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(benzotriazol-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-(benzotriazol-1-ylmethyl)-1,1-diketo-1,2-benzothiazol-3-one Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H10N4O3S/c19-14-10-5-1-4-8-13(10)22(20,21)18(14)9-17-12-7-3-2-6-11(12)15-16-17/h1-8H,9H2