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

Systemtic Name: 4-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-nitro-benzonitrile CAS Name: 4-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-3-nitro-benzonitrile Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-2-28-11-5-10-23-19(25)15-6-3-4-7-16(15)22-20(23)29-18-9-8-14(13-21)12-17(18)24(26)27/h3-4,6-9,12H,2,5,10-11H2,1H3