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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-pyridin-3-yl-quinazolin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(3-pyridyl)quinazolin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-(3-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-pyridin-3-ylquinazolin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-(3-pyridyl)quinazolin-4-one Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C20H14N4O3S/c25-19-17-5-1-2-6-18(17)22-20(23(19)16-4-3-11-21-12-16)28-13-14-7-9-15(10-8-14)24(26)27/h1-12H,13H2