3-(5-oxidanylidene-3-sulfanylidene-1,2,4-triazinan-6-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one

Systemtic Name: 3-(5-oxidanylidene-3-sulfanylidene-1,2,4-triazinan-6-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one Openeye Name: 3-(5-oxo-3-thioxo-1,2,4-triazinan-6-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one CAS Name: 3-(5-oxo-3-sulfanylidene-1,2,4-triazinan-6-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one IUPAC Name: 3-(5-oxo-3-sulfanylidene-1,2,4-triazinan-6-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one Traditional Name: 3-(5-keto-3-thioxo-1,2,4-triazinan-6-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one Formula: C13H10N6O2S MolecularWeight: 314.3225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=CN3)C4C(=O)NC(=S)NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=CN3)C4C(=O)NC(=S)NN4

InChI

InChI=1S/C13H10N6O2S/c20-11-9(17-18-13(22)16-11)7-5-14-19-10(7)15-8-4-2-1-3-6(8)12(19)21/h1-5,9,14,17H,(H2,16,18,20,22)