(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C22H17N5O3S/c1-2-15-14(11-23-22-24-13-25-27(15)22)21(29)30-12-20(28)26-16-7-3-5-9-18(16)31-19-10-6-4-8-17(19)26/h3-11,13H,2,12H2,1H3