2-(4-oxidanylidene-3-phenyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-oxidanylidene-3-phenyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-7-[oxo(1-pyrrolidinyl)methyl]-3-phenyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-oxo-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c22-10-13-28-21-23-18-14-15(19(26)24-11-4-5-12-24)8-9-17(18)20(27)25(21)16-6-2-1-3-7-16/h1-3,6-9,14H,4-5,11-13H2