2-[4-oxidanylidene-3-phenyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-phenyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-phenyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-phenyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-oxo-3-phenyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-phenyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC#N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC#N)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2S/c28-13-18-35-27-29-24-19-20(11-12-23(24)26(34)32(27)22-9-5-2-6-10-22)25(33)31-16-14-30(15-17-31)21-7-3-1-4-8-21/h1-12,19H,14-18H2