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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C26H18FN5O2S MolecularWeight: 483.516823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)CC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)CC5=CC=C(C=C5)F

InChI

InChI=1S/C26H18FN5O2S/c27-17-11-9-16(10-12-17)14-32-25(34)18-5-1-2-6-20(18)31-26(32)35-15-23(33)19(13-28)24-29-21-7-3-4-8-22(21)30-24/h1-12,29-30H,14-15H2