4-azanyl-7-phenoxathiin-2-yl-2H-[1,2,4]triazino[3,4-a]phthalazine-3-carbonitrile

Systemtic Name: 4-azanyl-7-phenoxathiin-2-yl-2H-[1,2,4]triazino[3,4-a]phthalazine-3-carbonitrile Openeye Name: 4-amino-7-phenoxathiin-2-yl-2H-[1,2,4]triazino[3,4-a]phthalazine-3-carbonitrile CAS Name: 4-amino-7-(2-phenoxathiinyl)-2H-[1,2,4]triazino[3,4-a]phthalazine-3-carbonitrile IUPAC Name: 4-amino-7-phenoxathiin-2-yl-2H-[1,2,4]triazino[3,4-a]phthalazine-3-carbonitrile Traditional Name: 4-amino-7-phenoxathiin-2-yl-2H-[1,2,4]triazino[3,4-a]phthalazine-3-carbonitrile Formula: C23H14N6OS MolecularWeight: 422.46186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN3C2=NNC(=C3N)C#N)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN3C2=NNC(=C3N)C#N)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

InChI

InChI=1S/C23H14N6OS/c24-12-16-22(25)29-23(27-26-16)15-6-2-1-5-14(15)21(28-29)13-9-10-18-20(11-13)31-19-8-4-3-7-17(19)30-18/h1-11,26H,25H2