3-(4-nitrophenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-nitrophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-nitrophenyl)-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 3-(4-nitrophenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-nitrophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazolin-4-one Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCO[C@H](C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c24-19-17-6-1-2-7-18(17)21-20(28-13-16-5-3-4-12-27-16)22(19)14-8-10-15(11-9-14)23(25)26/h1-2,6-11,16H,3-5,12-13H2/t16-/m1/s1