2-(2,4-dinitrophenyl)sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[(2,4-dinitrophenyl)thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(2,4-dinitrophenyl)thio]-3-isobutyl-quinazolin-4-one Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-11(2)10-20-17(23)13-5-3-4-6-14(13)19-18(20)28-16-8-7-12(21(24)25)9-15(16)22(26)27/h3-9,11H,10H2,1-2H3