3-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-fluoro-1-naphthyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-fluoro-1-naphthalenyl)methylthio]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-fluoro-1-naphthyl)methylthio]-5-phenyl-1,2,4-triazole Formula: C26H20FN3S MolecularWeight: 425.520503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C4=CC=CC=C34)F)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C4=CC=CC=C34)F)C5=CC=CC=C5

InChI

InChI=1S/C26H20FN3S/c27-24-16-15-21(22-13-7-8-14-23(22)24)18-31-26-29-28-25(20-11-5-2-6-12-20)30(26)17-19-9-3-1-4-10-19/h1-16H,17-18H2