3-[3-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-6-oxidanylidene-5-[(phenylmethyl)amino]-4,5-dihydropyridazin-1-yl]propanenitrile

Systemtic Name: 3-[3-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-6-oxidanylidene-5-[(phenylmethyl)amino]-4,5-dihydropyridazin-1-yl]propanenitrile Openeye Name: 3-[5-(benzylamino)-3-(5,5-dioxodibenzothiophen-2-yl)-6-oxo-4,5-dihydropyridazin-1-yl]propanenitrile CAS Name: 3-[3-(5,5-dioxo-2-dibenzothiophenyl)-6-oxo-5-[(phenylmethyl)amino]-4,5-dihydropyridazin-1-yl]propanenitrile IUPAC Name: 3-[5-(benzylamino)-3-(5,5-dioxodibenzothiophen-2-yl)-6-oxo-4,5-dihydropyridazin-1-yl]propanenitrile Traditional Name: 3-[5-(benzylamino)-3-(5,5-diketodibenzothiophen-2-yl)-6-keto-4,5-dihydropyridazin-1-yl]propionitrile Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(N=C1C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)CCC#N)NCC5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)N(N=C1C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)CCC#N)NCC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3S/c27-13-6-14-30-26(31)23(28-17-18-7-2-1-3-8-18)16-22(29-30)19-11-12-25-21(15-19)20-9-4-5-10-24(20)34(25,32)33/h1-5,7-12,15,23,28H,6,14,16-17H2