1-(5-azanyl-1,4,6-triphenyl-7-sulfanylidene-4H-pyrimido[4,5-c]pyridazin-3-yl)ethanone

Systemtic Name: 1-(5-azanyl-1,4,6-triphenyl-7-sulfanylidene-4H-pyrimido[4,5-c]pyridazin-3-yl)ethanone Openeye Name: 1-(5-amino-1,4,6-triphenyl-7-thioxo-4H-pyrimido[4,5-c]pyridazin-3-yl)ethanone CAS Name: 1-(5-amino-1,4,6-triphenyl-7-sulfanylidene-4H-pyrimido[4,5-c]pyridazin-3-yl)ethanone IUPAC Name: 1-(5-amino-1,4,6-triphenyl-7-sulfanylidene-4H-pyrimido[4,5-c]pyridazin-3-yl)ethanone Traditional Name: 1-(5-amino-1,4,6-triphenyl-7-thioxo-4H-pyrimido[4,5-c]pyridazin-3-yl)ethanone Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C2=NC(=S)N(C(=C2C1C3=CC=CC=C3)N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=NN(C2=NC(=S)N(C(=C2C1C3=CC=CC=C3)N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5OS/c1-17(32)23-21(18-11-5-2-6-12-18)22-24(27)30(19-13-7-3-8-14-19)26(33)28-25(22)31(29-23)20-15-9-4-10-16-20/h2-16,21H,27H2,1H3