5-ethyl-3-methyl-2-[[4-(4-nitrophenyl)carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 5-ethyl-3-methyl-2-[[4-(4-nitrophenyl)carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 5-ethyl-3-methyl-2-[[4-(4-nitrobenzoyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 5-ethyl-3-methyl-2-[[4-[(4-nitrophenyl)-oxomethyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 5-ethyl-3-methyl-2-[[4-(4-nitrobenzoyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 5-ethyl-3-methyl-2-[[4-(4-nitrobenzoyl)benzyl]thio]quinazolin-4-one Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O4S/c1-3-17-5-4-6-21-22(17)24(30)27(2)25(26-21)33-15-16-7-9-18(10-8-16)23(29)19-11-13-20(14-12-19)28(31)32/h4-14H,3,15H2,1-2H3