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

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-quinazolinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylquinazolin-4-one Traditional Name: 3-(4-methylbenzyl)-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]quinazolin-4-one Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-15-6-8-16(9-7-15)14-24-21(26)18-4-2-3-5-19(18)23-22(24)30-13-12-17-10-11-20(29-17)25(27)28/h2-13H,14H2,1H3/b13-12+