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

Systemtic Name: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C30H24N4OS2 MolecularWeight: 520.66776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C30H24N4OS2/c1-20-11-15-22(16-12-20)29-31-32-30(33(29)23-17-13-21(2)14-18-23)36-19-28(35)34-24-7-3-5-9-26(24)37-27-10-6-4-8-25(27)34/h3-18H,19H2,1-2H3