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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CC6=CC=CC=C6

InChI

InChI=1S/C30H24N4OS2/c1-21-15-17-23(18-16-21)33-28(19-22-9-3-2-4-10-22)31-32-30(33)36-20-29(35)34-24-11-5-7-13-26(24)37-27-14-8-6-12-25(27)34/h2-18H,19-20H2,1H3