2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

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