3-(4-nitrophenyl)-2-prop-2-enylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-prop-2-enylsulfanyl-quinazolin-4-one Openeye Name: 2-allylsulfanyl-3-(4-nitrophenyl)quinazolin-4-one CAS Name: 3-(4-nitrophenyl)-2-(prop-2-enylthio)-4-quinazolinone IUPAC Name: 3-(4-nitrophenyl)-2-prop-2-enylsulfanylquinazolin-4-one Traditional Name: 2-(allylthio)-3-(4-nitrophenyl)quinazolin-4-one Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S/c1-2-11-24-17-18-15-6-4-3-5-14(15)16(21)19(17)12-7-9-13(10-8-12)20(22)23/h2-10H,1,11H2