3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-6-fluoro-benzyl)thio]-5-(p-tolyl)-1,2,4-triazole Formula: C19H17ClFN3S MolecularWeight: 373.874783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H17ClFN3S/c1-3-11-24-18(14-9-7-13(2)8-10-14)22-23-19(24)25-12-15-16(20)5-4-6-17(15)21/h3-10H,1,11-12H2,2H3