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

Systemtic Name: 2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-5-nitro-benzonitrile Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H14N4O4S/c1-26-9-8-21-17(23)14-4-2-3-5-15(14)20-18(21)27-16-7-6-13(22(24)25)10-12(16)11-19/h2-7,10H,8-9H2,1H3