7-iodanyl-1,1-bis(oxidanylidene)-N-pentan-3-yl-4H-1$l^{6},2,4-benzothiadiazin-3-amine

Systemtic Name: 7-iodanyl-1,1-bis(oxidanylidene)-N-pentan-3-yl-4H-1$l^{6},2,4-benzothiadiazin-3-amine Openeye Name: N-(1-ethylpropyl)-7-iodo-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-amine CAS Name: 7-iodo-1,1-dioxo-N-pentan-3-yl-4H-1$l^{6},2,4-benzothiadiazin-3-amine IUPAC Name: 7-iodo-1,1-dioxo-N-pentan-3-yl-4H-1$l^{6},2,4-benzothiadiazin-3-amine Traditional Name: 1-ethylpropyl-(7-iodo-1,1-diketo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)amine Formula: C12H16IN3O2S MolecularWeight: 393.24381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)I

Isomeric SMILES

CCC(CC)NC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)I

InChI

InChI=1S/C12H16IN3O2S/c1-3-9(4-2)14-12-15-10-6-5-8(13)7-11(10)19(17,18)16-12/h5-7,9H,3-4H2,1-2H3,(H2,14,15,16)