2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[[1-(o-tolyl)imidazol-2-yl]thio]acetamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C21H20N4O5S/c1-14-5-2-3-6-16(14)24-8-7-22-21(24)31-13-20(26)23-15-11-18-19(12-17(15)25(27)28)30-10-4-9-29-18/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,23,26)