3-(phenylmethylsulfanyl)-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole

Systemtic Name: 3-(phenylmethylsulfanyl)-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(1,1,3,3-tetramethylbutyl)-1,2,4-triazole CAS Name: 3-(phenylmethylthio)-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(1,1,3,3-tetramethylbutyl)-1,2,4-triazole Formula: C17H25N3S MolecularWeight: 303.4655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)N1C=NN=C1SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)N1C=NN=C1SCC2=CC=CC=C2

InChI

InChI=1S/C17H25N3S/c1-16(2,3)12-17(4,5)20-13-18-19-15(20)21-11-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3