3-[(4-tert-butylphenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(1-naphthyloxymethyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(1-naphthoxymethyl)-4-phenyl-1,2,4-triazole Formula: C30H29N3OS MolecularWeight: 479.63576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H29N3OS/c1-30(2,3)24-18-16-22(17-19-24)21-35-29-32-31-28(33(29)25-12-5-4-6-13-25)20-34-27-15-9-11-23-10-7-8-14-26(23)27/h4-19H,20-21H2,1-3H3