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

Systemtic Name: 2-[4-oxidanylidene-2-[[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]methyl]quinazolin-3-yl]acetonitrile Formula: C28H23N5O2S MolecularWeight: 493.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C28H23N5O2S/c29-16-18-32-25(30-23-14-6-4-12-21(23)26(32)34)19-36-28-31-24-15-7-5-13-22(24)27(35)33(28)17-8-11-20-9-2-1-3-10-20/h1-7,9-10,12-15H,8,11,17-19H2