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

Systemtic Name: 3-cyclopropyl-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(3-fluoro-4-methoxyphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazole Formula: C20H20FN3OS MolecularWeight: 369.455703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)F

InChI

InChI=1S/C20H20FN3OS/c1-25-18-10-7-15(11-17(18)21)13-26-20-23-22-19(16-8-9-16)24(20)12-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12-13H2,1H3