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

Systemtic Name: 3-nitro-4-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]benzaldehyde Openeye Name: 3-nitro-4-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]benzaldehyde CAS Name: 3-nitro-4-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]benzaldehyde IUPAC Name: 3-nitro-4-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]benzaldehyde Traditional Name: 3-nitro-4-[[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)C=O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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