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

Systemtic Name: N-[1-[4-ethyl-5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-2-methyl-propyl]-3-nitro-benzamide Openeye Name: N-[1-[4-ethyl-5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: N-[1-[4-ethyl-5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1,2,4-triazol-3-yl]-2-methylpropyl]-3-nitrobenzamide IUPAC Name: N-[1-[4-ethyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-nitrobenzamide Traditional Name: N-[1-[4-ethyl-5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,2,4-triazol-3-yl]-2-methyl-propyl]-3-nitro-benzamide Formula: C29H28N6O4S2 MolecularWeight: 588.70042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(C(C)C)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(C(C)C)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H28N6O4S2/c1-4-33-27(26(18(2)3)30-28(37)19-10-9-11-20(16-19)35(38)39)31-32-29(33)40-17-25(36)34-21-12-5-7-14-23(21)41-24-15-8-6-13-22(24)34/h5-16,18,26H,4,17H2,1-3H3,(H,30,37)