4-[4-oxidanylidene-2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methylthio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylthio]quinazolin-3-yl]benzonitrile Formula: C28H19N3O3S MolecularWeight: 477.53376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)C#N

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)C#N

InChI

InChI=1S/C28H19N3O3S/c29-15-17-8-10-21(11-9-17)31-27(33)22-6-1-2-7-24(22)30-28(31)35-16-20-14-26(32)34-25-13-19-5-3-4-18(19)12-23(20)25/h1-2,6-14H,3-5,16H2