3-[(4-tert-butylphenoxy)methyl]-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(2-methyl-1-naphthyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(2-methyl-1-naphthalenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(2-methyl-1-naphthyl)methylthio]-4-phenyl-1,2,4-triazole Formula: C31H31N3OS MolecularWeight: 493.66234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C31H31N3OS/c1-22-14-15-23-10-8-9-13-27(23)28(22)21-36-30-33-32-29(34(30)25-11-6-5-7-12-25)20-35-26-18-16-24(17-19-26)31(2,3)4/h5-19H,20-21H2,1-4H3