5-nitro-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]benzaldehyde

Systemtic Name: 5-nitro-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]benzaldehyde Openeye Name: 5-nitro-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]benzaldehyde CAS Name: 5-nitro-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]benzaldehyde IUPAC Name: 5-nitro-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]benzaldehyde Traditional Name: 5-nitro-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]benzaldehyde Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3S/c17-16(18,19)14-11-3-1-2-4-12(11)20-15(21-14)26-13-6-5-10(22(24)25)7-9(13)8-23/h5-8H,1-4H2