1-(4-methoxyphenyl)-2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[[5-(1-naphthylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[5-[(1-naphthalenylmethylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[5-[(1-naphthylmethylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H25N3O2S2 MolecularWeight: 511.6577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H25N3O2S2/c1-34-25-16-14-22(15-17-25)27(33)19-36-29-31-30-28(32(29)24-11-3-2-4-12-24)20-35-18-23-10-7-9-21-8-5-6-13-26(21)23/h2-17H,18-20H2,1H3