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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-quinazolinone IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-3-p-anisyl-quinazolin-4-one Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5S/c1-29-16-8-6-15(7-9-16)14-24-21(26)18-4-2-3-5-19(18)23-22(24)31-13-12-17-10-11-20(30-17)25(27)28/h2-13H,14H2,1H3/b13-12+