(2S)-3-(furan-2-ylmethyl)-2-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(furan-2-ylmethyl)-2-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(2-furylmethyl)-2-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(2-furanylmethyl)-2-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(furan-2-ylmethyl)-2-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(2-furfuryl)-2-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)[C@H]3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O4S/c1-26-11-10-24-23(26)33-20-9-8-15(13-19(20)28(30)31)21-25-18-7-3-2-6-17(18)22(29)27(21)14-16-5-4-12-32-16/h2-13,21,25H,14H2,1H3/t21-/m0/s1