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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NN=CN4CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NN=CN4CC5=CC=CO5

InChI

InChI=1S/C21H16N4O2S2/c26-20(13-28-21-23-22-14-24(21)12-15-6-5-11-27-15)25-16-7-1-3-9-18(16)29-19-10-4-2-8-17(19)25/h1-11,14H,12-13H2