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

Systemtic Name: 2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-(1-naphthylmethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(1-naphthalenylmethylthio)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-[(1-naphthylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C25H23N3OS2 MolecularWeight: 445.59962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CSCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CSCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H23N3OS2/c1-2-15-28-24(18-30-16-21-13-8-12-19-9-6-7-14-22(19)21)26-27-25(28)31-17-23(29)20-10-4-3-5-11-20/h2-14H,1,15-18H2