3-[(2-methylphenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 3-[(2-methylphenyl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-[(2-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NNC(=N2)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NNC(=N2)C(C)C

InChI

InChI=1S/C13H17N3S/c1-9(2)12-14-13(16-15-12)17-8-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H,14,15,16)