3-[(4-chlorophenyl)methyl]-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methyl]-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-chlorophenyl)methyl]-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methyl]-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-chlorobenzyl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C20H20ClN3S MolecularWeight: 369.9109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3S/c1-3-12-24-19(13-16-8-10-18(21)11-9-16)22-23-20(24)25-14-17-6-4-15(2)5-7-17/h3-11H,1,12-14H2,2H3