2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one

Systemtic Name: 2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-3-[[(2R)-2-oxolanyl]methyl]-4-quinazolinone IUPAC Name: 2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C[C@H]4CCCO4

InChI

InChI=1S/C21H21N3O4S/c1-14(15-6-4-7-16(12-15)24(26)27)29-21-22-19-10-3-2-9-18(19)20(25)23(21)13-17-8-5-11-28-17/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3/t14-,17-/m1/s1