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

Systemtic Name: 3-(2-methylphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 3-(2-methylphenyl)-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-14-6-2-5-9-18(14)23-20(25)16-7-3-4-8-17(16)22-21(23)29-13-12-15-10-11-19(28-15)24(26)27/h2-13H,1H3/b13-12+