3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(1-naphthylmethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(1-naphthylmethyl)-1,2,4-triazol-4-yl]amine Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43)F

InChI

InChI=1S/C21H19FN4OS/c1-27-19-10-9-14(11-18(19)22)13-28-21-25-24-20(26(21)23)12-16-7-4-6-15-5-2-3-8-17(15)16/h2-11H,12-13,23H2,1H3