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

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

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C29H22N4OS2/c34-28(33-23-15-7-9-17-25(23)36-26-18-10-8-16-24(26)33)20-35-29-31-30-27(19-21-11-3-1-4-12-21)32(29)22-13-5-2-6-14-22/h1-18H,19-20H2