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

Systemtic Name: 2-[2-[[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]methyl]quinazolin-3-yl]acetonitrile Formula: C27H21N5O2S MolecularWeight: 479.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C27H21N5O2S/c1-18-10-12-19(13-11-18)16-32-26(34)21-7-3-5-9-23(21)30-27(32)35-17-24-29-22-8-4-2-6-20(22)25(33)31(24)15-14-28/h2-13H,15-17H2,1H3