(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic 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=CC=C(C=C4)N5C=NN=N5

Isomeric SMILES

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

InChI

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