3-[(4-chlorophenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazole Formula: C18H18ClN3S MolecularWeight: 343.87362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H18ClN3S/c1-12-4-7-15(10-13(12)2)17-20-21-18(22(17)3)23-11-14-5-8-16(19)9-6-14/h4-10H,11H2,1-3H3