methyl 4-[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C23H17N5O3S2 MolecularWeight: 475.54278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C23H17N5O3S2/c1-31-22(30)15-10-12-16(13-11-15)28-23(24-25-26-28)32-14-21(29)27-17-6-2-4-8-19(17)33-20-9-5-3-7-18(20)27/h2-13H,14H2,1H3