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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-benzyl-5-[(3-fluoro-4-methoxy-benzyl)thio]-4-(m-tolyl)-1,2,4-triazole Formula: C24H22FN3OS MolecularWeight: 419.514383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)OC)F)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)OC)F)CC4=CC=CC=C4

InChI

InChI=1S/C24H22FN3OS/c1-17-7-6-10-20(13-17)28-23(15-18-8-4-3-5-9-18)26-27-24(28)30-16-19-11-12-22(29-2)21(25)14-19/h3-14H,15-16H2,1-2H3