3-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 1-(4-mesylphenyl)-3-methyl-5-phenyl-1,2,4-triazole Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H15N3O2S/c1-12-17-16(13-6-4-3-5-7-13)19(18-12)14-8-10-15(11-9-14)22(2,20)21/h3-11H,1-2H3