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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H17N5O5S2 MolecularWeight: 519.55228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O5S2/c1-27-14-25-26-24(27)36-21-11-10-15(12-18(21)29(32)33)23(31)34-13-22(30)28-16-6-2-4-8-19(16)35-20-9-5-3-7-17(20)28/h2-12,14H,13H2,1H3