3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H15N5O2S/c1-2-5-10-8-13(21)17-15(16-10)23-9-20-14(22)11-6-3-4-7-12(11)18-19-20/h3-4,6-8H,2,5,9H2,1H3,(H,16,17,21)