2-(2,4-dinitrophenyl)sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline CAS Name: 2-[(2,4-dinitrophenyl)thio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline Traditional Name: 2-[(2,4-dinitrophenyl)thio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline Formula: C15H11F3N4O4S MolecularWeight: 400.33245

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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-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N4O4S/c16-15(17,18)13-9-3-1-2-4-10(9)19-14(20-13)27-12-6-5-8(21(23)24)7-11(12)22(25)26/h5-7H,1-4H2