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

Systemtic Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C29H22N4OS2 MolecularWeight: 506.64118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C29H22N4OS2/c1-20-11-5-6-14-22(20)28-30-31-29(32(28)21-12-3-2-4-13-21)35-19-27(34)33-23-15-7-9-17-25(23)36-26-18-10-8-16-24(26)33/h2-18H,19H2,1H3