1-(4-bromophenyl)-2-[[4-ethyl-5-(phenothiazin-10-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(phenothiazin-10-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(phenothiazin-10-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(10-phenothiazinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(phenothiazin-10-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(phenothiazin-10-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H21BrN4OS2 MolecularWeight: 537.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H21BrN4OS2/c1-2-29-24(27-28-25(29)32-16-21(31)17-11-13-18(26)14-12-17)15-30-19-7-3-5-9-22(19)33-23-10-6-4-8-20(23)30/h3-14H,2,15-16H2,1H3