4-methyl-3-(naphthalen-1-ylmethylsulfanyl)-5-phenethyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(naphthalen-1-ylmethylsulfanyl)-5-phenethyl-1,2,4-triazole Openeye Name: 4-methyl-3-(1-naphthylmethylsulfanyl)-5-phenethyl-1,2,4-triazole CAS Name: 4-methyl-3-(1-naphthalenylmethylthio)-5-phenethyl-1,2,4-triazole IUPAC Name: 4-methyl-3-(naphthalen-1-ylmethylsulfanyl)-5-phenethyl-1,2,4-triazole Traditional Name: 4-methyl-3-(1-naphthylmethylthio)-5-phenethyl-1,2,4-triazole Formula: C22H21N3S MolecularWeight: 359.48724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)CCC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)CCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3S/c1-25-21(15-14-17-8-3-2-4-9-17)23-24-22(25)26-16-19-12-7-11-18-10-5-6-13-20(18)19/h2-13H,14-16H2,1H3