N-[[4-methyl-5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[4-methyl-5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[4-methyl-5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: N-[[4-methyl-5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: N-[[4-methyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Formula: C25H20N6O4S2 MolecularWeight: 532.5941

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N6O4S2/c1-29-22(14-26-24(33)16-7-6-8-17(13-16)31(34)35)27-28-25(29)36-15-23(32)30-18-9-2-4-11-20(18)37-21-12-5-3-10-19(21)30/h2-13H,14-15H2,1H3,(H,26,33)