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

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-3-(2-methylpropyl)-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-quinazolinone IUPAC Name: 6-chloro-3-(2-methylpropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylquinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]quinazolin-4-one Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O4S/c1-11(2)10-21-17(23)14-9-12(19)3-5-15(14)20-18(21)27-8-7-13-4-6-16(26-13)22(24)25/h3-9,11H,10H2,1-2H3/b8-7+