4-(4-chlorophenyl)-3-methyl-5-phenethylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-methyl-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-methyl-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-methyl-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-methyl-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-methyl-5-(phenethylthio)-1,2,4-triazole Formula: C17H16ClN3S MolecularWeight: 329.84704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCCC3=CC=CC=C3

InChI

InChI=1S/C17H16ClN3S/c1-13-19-20-17(21(13)16-9-7-15(18)8-10-16)22-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3