3-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-methyl-2-[1-(3-nitrophenyl)ethylthio]-4-quinazolinone IUPAC Name: 3-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-methyl-2-[1-(3-nitrophenyl)ethylthio]quinazolin-4-one Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C17H15N3O3S/c1-11(12-6-5-7-13(10-12)20(22)23)24-17-18-15-9-4-3-8-14(15)16(21)19(17)2/h3-11H,1-2H3