2-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethylsulfanyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethylthio]-3-phenyl-quinazolin-4-one Formula: C27H24F3N5O3S MolecularWeight: 555.57137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C27H24F3N5O3S/c28-27(29,30)19-10-11-23(24(18-19)35(37)38)33-14-12-32(13-15-33)16-17-39-26-31-22-9-5-4-8-21(22)25(36)34(26)20-6-2-1-3-7-20/h1-11,18H,12-17H2