3-(3,4-dimethoxyphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]quinazolin-4-one Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC=CC4=CC=C(O4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S/C=C/C4=CC=C(O4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H17N3O6S/c1-29-18-9-7-14(13-19(18)30-2)24-21(26)16-5-3-4-6-17(16)23-22(24)32-12-11-15-8-10-20(31-15)25(27)28/h3-13H,1-2H3/b12-11+