2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-5-nitro-benzonitrile Formula: C19H16N4O3S MolecularWeight: 380.42034

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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-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S/c1-12(2)11-22-18(24)15-5-3-4-6-16(15)21-19(22)27-17-8-7-14(23(25)26)9-13(17)10-20/h3-9,12H,11H2,1-2H3