4-methyl-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-(4-methylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C16H21N3OS MolecularWeight: 303.42244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3CCCCO3

InChI

InChI=1S/C16H21N3OS/c1-12-6-8-13(9-7-12)15-17-18-16(19(15)2)21-11-14-5-3-4-10-20-14/h6-9,14H,3-5,10-11H2,1-2H3