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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-chlorophenyl)methylsulfanyl]-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-chlorobenzyl)thio]-5-(o-tolyl)-1,2,4-triazole Formula: C19H18ClN3S MolecularWeight: 355.88432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3S/c1-3-12-23-18(17-7-5-4-6-14(17)2)21-22-19(23)24-13-15-8-10-16(20)11-9-15/h3-11H,1,12-13H2,2H3