(2S)-2-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one

Systemtic Name: (2S)-2-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Openeye Name: (2S)-2-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one CAS Name: (2S)-2-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one IUPAC Name: (2S)-2-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one Traditional Name: (2S)-2-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)[C@H]3NC4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c1-22-9-8-19-18(22)27-15-7-6-11(10-14(15)23(25)26)16-20-13-5-3-2-4-12(13)17(24)21-16/h2-10,16,20H,1H3,(H,21,24)/t16-/m0/s1