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

Systemtic Name: 3-cyclopentyl-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[1-(3-nitrophenyl)ethylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[1-(3-nitrophenyl)ethylthio]quinazolin-4-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C21H21N3O3S/c1-14(15-7-6-10-17(13-15)24(26)27)28-21-22-19-12-5-4-11-18(19)20(25)23(21)16-8-2-3-9-16/h4-7,10-14,16H,2-3,8-9H2,1H3