(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(N=CC=C4)N5C=NC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(N=CC=C4)N5C=NC=N5

InChI

InChI=1S/C22H15N5O3S/c28-20(12-30-22(29)15-6-5-11-24-21(15)26-14-23-13-25-26)27-16-7-1-3-9-18(16)31-19-10-4-2-8-17(19)27/h1-11,13-14H,12H2