3-hexyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one

Systemtic Name: 3-hexyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one Openeye Name: 3-hexyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one CAS Name: 3-hexyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one IUPAC Name: 3-hexyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one Traditional Name: 3-hexyl-6-mesyl-1,2,3-benzotriazin-4-one Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(C=CC(=C2)S(=O)(=O)C)N=N1

Isomeric SMILES

CCCCCCN1C(=O)C2=C(C=CC(=C2)S(=O)(=O)C)N=N1

InChI

InChI=1S/C14H19N3O3S/c1-3-4-5-6-9-17-14(18)12-10-11(21(2,19)20)7-8-13(12)15-16-17/h7-8,10H,3-6,9H2,1-2H3