2-[2-[[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C25H16ClN5O2S MolecularWeight: 485.94484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl)CC#N

InChI

InChI=1S/C25H16ClN5O2S/c26-16-6-5-7-17(14-16)31-24(33)19-9-2-4-11-21(19)29-25(31)34-15-22-28-20-10-3-1-8-18(20)23(32)30(22)13-12-27/h1-11,14H,13,15H2