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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 1-phenothiazin-10-yl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C30H22N4O3S2 MolecularWeight: 550.65068

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C7=CC=CC=C7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C7=CC=CC=C7

InChI

InChI=1S/C30H22N4O3S2/c35-28(34-22-10-4-6-12-26(22)39-27-13-7-5-11-23(27)34)18-38-30-32-31-29(21-8-2-1-3-9-21)33(30)17-20-14-15-24-25(16-20)37-19-36-24/h1-16H,17-19H2