N-[4-(cyanomethyl)phenyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)CC#N)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)CC#N)NC2=S

InChI

InChI=1S/C23H16N4O2S/c24-13-12-15-6-9-17(10-7-15)25-21(28)16-8-11-19-20(14-16)26-23(30)27(22(19)29)18-4-2-1-3-5-18/h1-11,14H,12H2,(H,25,28)(H,26,30)