6-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-2H-1,2,4-triazine-3,5-quinone Formula: C11H8N6O3S MolecularWeight: 304.28462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NNC(=O)NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NNC(=O)NC3=O

InChI

InChI=1S/C11H8N6O3S/c18-8-9(14-15-11(20)12-8)21-5-17-10(19)6-3-1-2-4-7(6)13-16-17/h1-4H,5H2,(H2,12,15,18,20)