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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-isopropyl-1H-1,2,4-triazole Formula: C12H14ClN3S MolecularWeight: 267.77766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C12H14ClN3S/c1-8(2)11-14-12(16-15-11)17-7-9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,15,16)