3-[(4-methylphenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Openeye Name: 1-phenyl-3-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-1-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Traditional Name: 3-[(4-methylbenzyl)thio]-1-phenyl-1,2,4-triazole Formula: C16H15N3S MolecularWeight: 281.3754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3S/c1-13-7-9-14(10-8-13)11-20-16-17-12-19(18-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3