N-dibenzofuran-3-yl-1-[4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]methanimine

Systemtic Name: N-dibenzofuran-3-yl-1-[4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]methanimine Openeye Name: N-dibenzofuran-3-yl-1-[4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]methanimine CAS Name: N-(3-dibenzofuranyl)-1-[4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]methanimine IUPAC Name: N-dibenzofuran-3-yl-1-[4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]methanimine Traditional Name: dibenzofuran-3-yl-[4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzylidene]amine Formula: C29H21N5O4S MolecularWeight: 535.57314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)C5=CC=CC=C5O4)[N+](=O)[O-])COC6=CC=CC=C6

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)C5=CC=CC=C5O4)[N+](=O)[O-])COC6=CC=CC=C6

InChI

InChI=1S/C29H21N5O4S/c1-33-28(18-37-21-7-3-2-4-8-21)31-32-29(33)39-27-14-11-19(15-24(27)34(35)36)17-30-20-12-13-23-22-9-5-6-10-25(22)38-26(23)16-20/h2-17H,18H2,1H3