4-(3-chloranyl-4-methyl-phenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chloro-4-methylphenyl)-3-[(2-fluorophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-[(2-fluorobenzyl)thio]-1,2,4-triazole Formula: C16H13ClFN3S MolecularWeight: 333.810923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC=CC=C3F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC=CC=C3F)Cl

InChI

InChI=1S/C16H13ClFN3S/c1-11-6-7-13(8-14(11)17)21-10-19-20-16(21)22-9-12-4-2-3-5-15(12)18/h2-8,10H,9H2,1H3