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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)F)Cl

InChI

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