2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one CAS Name: 2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-3-(1-phenylethyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one Traditional Name: 2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-3-(1-phenylethyl)quinazolin-4-one Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4S/c1-15(16-7-3-2-4-8-16)24-21(26)18-9-5-6-10-19(18)23-22(24)30-14-13-17-11-12-20(29-17)25(27)28/h2-15H,1H3/b14-13+