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

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chloro-4-methylphenyl)-3-[(3-fluoro-4-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazole Formula: C17H15ClFN3OS MolecularWeight: 363.836903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClFN3OS/c1-11-3-5-13(8-14(11)18)22-10-20-21-17(22)24-9-12-4-6-16(23-2)15(19)7-12/h3-8,10H,9H2,1-2H3