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

Systemtic Name: 2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-5-nitro-benzonitrile Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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