(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: (1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-oxo-1-(10-phenothiazinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylpropan-2-yl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C26H22N4O3S2 MolecularWeight: 502.60788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)SC

InChI

InChI=1S/C26H22N4O3S2/c1-16(24(31)30-20-8-4-6-10-22(20)35-23-11-7-5-9-21(23)30)33-25(32)18-12-14-19(15-13-18)29-17(2)27-28-26(29)34-3/h4-16H,1-3H3