3-dodecan-2-ylsulfanyl-5-methyl-4-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-dodecan-2-ylsulfanyl-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-methyl-5-(1-methylundecylsulfanyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(dodecan-2-ylthio)-5-methyl-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-dodecan-2-ylsulfanyl-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-methyl-5-(1-methylundecylthio)-4-(p-tolyl)-1,2,4-triazole Formula: C22H35N3S MolecularWeight: 373.5984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NN=C(N1C2=CC=C(C=C2)C)C

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NN=C(N1C2=CC=C(C=C2)C)C

InChI

InChI=1S/C22H35N3S/c1-5-6-7-8-9-10-11-12-13-19(3)26-22-24-23-20(4)25(22)21-16-14-18(2)15-17-21/h14-17,19H,5-13H2,1-4H3