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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3S/c1-2-11-20-17(22)15-5-3-4-6-16(15)19-18(20)25-12-13-7-9-14(10-8-13)21(23)24/h2-10H,1,11-12H2