2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)quinazolin-4-one

Systemtic Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)quinazolin-4-one Openeye Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)quinazolin-4-one CAS Name: 2-[[(1-methyl-2-benzimidazolyl)thio]methyl]-3-(4-nitrophenyl)-4-quinazolinone IUPAC Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)quinazolin-4-one Traditional Name: 2-[[(1-methylbenzimidazol-2-yl)thio]methyl]-3-(4-nitrophenyl)quinazolin-4-one Formula: C23H17N5O3S MolecularWeight: 443.47778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O3S/c1-26-20-9-5-4-8-19(20)25-23(26)32-14-21-24-18-7-3-2-6-17(18)22(29)27(21)15-10-12-16(13-11-15)28(30)31/h2-13H,14H2,1H3