3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-methyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C27H31N3S MolecularWeight: 429.62014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43)C)C(C)(C)C

InChI

InChI=1S/C27H31N3S/c1-18-14-22(27(3,4)5)15-19(2)24(18)17-31-26-29-28-25(30(26)6)16-21-12-9-11-20-10-7-8-13-23(20)21/h7-15H,16-17H2,1-6H3