5-azanyl-2-(4-phenoxathiin-2-ylphthalazin-1-yl)-4H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-(4-phenoxathiin-2-ylphthalazin-1-yl)-4H-pyrazol-3-one Openeye Name: 5-amino-2-(4-phenoxathiin-2-ylphthalazin-1-yl)-4H-pyrazol-3-one CAS Name: 5-amino-2-[4-(2-phenoxathiinyl)-1-phthalazinyl]-4H-pyrazol-3-one IUPAC Name: 5-amino-2-(4-phenoxathiin-2-ylphthalazin-1-yl)-4H-pyrazol-3-one Traditional Name: 5-amino-2-(4-phenoxathiin-2-ylphthalazin-1-yl)-2-pyrazolin-3-one Formula: C23H15N5O2S MolecularWeight: 425.4625

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=NN=C(C3=CC=CC=C32)C4=CC5=C(C=C4)OC6=CC=CC=C6S5)N

Isomeric SMILES

C1C(=NN(C1=O)C2=NN=C(C3=CC=CC=C32)C4=CC5=C(C=C4)OC6=CC=CC=C6S5)N

InChI

InChI=1S/C23H15N5O2S/c24-20-12-21(29)28(27-20)23-15-6-2-1-5-14(15)22(25-26-23)13-9-10-17-19(11-13)31-18-8-4-3-7-16(18)30-17/h1-11H,12H2,(H2,24,27)