3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[butyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[butyl-(1,1-diketothiolan-3-yl)amino]methyl]-1,2,3-benzotriazin-4-one Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C(=O)C2=CC=CC=C2N=N1)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN(CN1C(=O)C2=CC=CC=C2N=N1)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H22N4O3S/c1-2-3-9-19(13-8-10-24(22,23)11-13)12-20-16(21)14-6-4-5-7-15(14)17-18-20/h4-7,13H,2-3,8-12H2,1H3