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

Systemtic Name: 4-cyclohexyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C27H28FN3OS MolecularWeight: 461.594123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54)F

InChI

InChI=1S/C27H28FN3OS/c1-32-25-15-14-19(16-24(25)28)18-33-27-30-29-26(31(27)22-11-3-2-4-12-22)17-21-10-7-9-20-8-5-6-13-23(20)21/h5-10,13-16,22H,2-4,11-12,17-18H2,1H3