2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-3-keto-butyronitrile Formula: C25H16FN5OS MolecularWeight: 453.490843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H16FN5OS/c26-16-11-9-15(10-12-16)23-17-5-1-2-6-18(17)25(31-30-23)33-14-22(32)19(13-27)24-28-20-7-3-4-8-21(20)29-24/h1-12,28-29H,14H2