2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C24H20N4O3S2 MolecularWeight: 476.5706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)OC

InChI

InChI=1S/C24H20N4O3S2/c1-30-16-11-15(12-17(13-16)31-2)23-25-24(27-26-23)32-14-22(29)28-18-7-3-5-9-20(18)33-21-10-6-4-8-19(21)28/h3-13H,14H2,1-2H3,(H,25,26,27)