3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-methyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-5-methyl-4-(p-tolyl)-1,2,4-triazole Formula: C18H18FN3OS MolecularWeight: 343.418423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3OS/c1-12-4-7-15(8-5-12)22-13(2)20-21-18(22)24-11-14-6-9-17(23-3)16(19)10-14/h4-10H,11H2,1-3H3