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

Systemtic Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C28H19N5O3S2 MolecularWeight: 537.61216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H19N5O3S2/c34-26(32-22-10-4-6-12-24(22)38-25-13-7-5-11-23(25)32)18-37-28-30-29-27(31(28)20-8-2-1-3-9-20)19-14-16-21(17-15-19)33(35)36/h1-17H,18H2