2-[(2-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one Openeye Name: 3-(4-nitrophenyl)-2-(o-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-3-(4-nitrophenyl)-4-quinazolinone IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)quinazolin-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-(4-nitrophenyl)quinazolin-4-one Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c1-15-6-2-3-7-16(15)14-29-22-23-20-9-5-4-8-19(20)21(26)24(22)17-10-12-18(13-11-17)25(27)28/h2-13H,14H2,1H3