N-(2-cyano-4-nitro-phenyl)-2-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]acetamide Formula: C25H19N5O4S MolecularWeight: 485.51446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C25H19N5O4S/c1-16(17-7-3-2-4-8-17)29-24(32)20-9-5-6-10-22(20)28-25(29)35-15-23(31)27-21-12-11-19(30(33)34)13-18(21)14-26/h2-13,16H,15H2,1H3,(H,27,31)/t16-/m1/s1