3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C15H9N5O3S2 MolecularWeight: 371.39366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C15H9N5O3S2/c21-14-10-3-1-2-4-11(10)17-18-19(14)8-24-15-16-12-6-5-9(20(22)23)7-13(12)25-15/h1-7H,8H2