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

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-4-methyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-methyl-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-4-methyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C21H19N3OS MolecularWeight: 361.46006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N3OS/c1-24-20(16-10-12-18(25-2)13-11-16)22-23-21(24)26-14-17-8-5-7-15-6-3-4-9-19(15)17/h3-13H,14H2,1-2H3