2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-nitrophenyl)-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(4-nitrophenyl)quinazolin-4-one Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O3S/c1-15-7-8-16(2)17(13-15)14-30-23-24-21-6-4-3-5-20(21)22(27)25(23)18-9-11-19(12-10-18)26(28)29/h3-13H,14H2,1-2H3