3-cyclopentyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-cyclopentyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[(2-methoxy-5-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[(2-methoxy-5-nitro-benzyl)thio]quinazolin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C21H21N3O4S/c1-28-19-11-10-16(24(26)27)12-14(19)13-29-21-22-18-9-5-4-8-17(18)20(25)23(21)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7,13H2,1H3