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

Systemtic Name: 3-(1-methoxypropan-2-yl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-methoxy-1-methyl-ethyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(1-methoxypropan-2-yl)-2-[1-(3-nitrophenyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(1-methoxypropan-2-yl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-methoxy-1-methyl-ethyl)-2-[1-(3-nitrophenyl)ethylthio]quinazolin-4-one Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-13(12-27-3)22-19(24)17-9-4-5-10-18(17)21-20(22)28-14(2)15-7-6-8-16(11-15)23(25)26/h4-11,13-14H,12H2,1-3H3