2-[1-(5-azanyl-1,4,6-triphenyl-7-sulfanylidene-4H-pyrimido[4,5-c]pyridazin-3-yl)ethylidene]propanedinitrile

Systemtic Name: 2-[1-(5-azanyl-1,4,6-triphenyl-7-sulfanylidene-4H-pyrimido[4,5-c]pyridazin-3-yl)ethylidene]propanedinitrile Openeye Name: 2-[1-(5-amino-1,4,6-triphenyl-7-thioxo-4H-pyrimido[4,5-c]pyridazin-3-yl)ethylidene]propanedinitrile CAS Name: 2-[1-(5-amino-1,4,6-triphenyl-7-sulfanylidene-4H-pyrimido[4,5-c]pyridazin-3-yl)ethylidene]propanedinitrile IUPAC Name: 2-[1-(5-amino-1,4,6-triphenyl-7-sulfanylidene-4H-pyrimido[4,5-c]pyridazin-3-yl)ethylidene]propanedinitrile Traditional Name: 2-[1-(5-amino-1,4,6-triphenyl-7-thioxo-4H-pyrimido[4,5-c]pyridazin-3-yl)ethylidene]malononitrile Formula: C29H21N7S MolecularWeight: 499.58894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21N7S/c1-19(21(17-30)18-31)26-24(20-11-5-2-6-12-20)25-27(32)35(22-13-7-3-8-14-22)29(37)33-28(25)36(34-26)23-15-9-4-10-16-23/h2-16,24H,32H2,1H3