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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C32H39N3S MolecularWeight: 497.73716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54)C)C(C)(C)C

InChI

InChI=1S/C32H39N3S/c1-22-18-26(32(3,4)5)19-23(2)29(22)21-36-31-34-33-30(35(31)27-15-7-6-8-16-27)20-25-14-11-13-24-12-9-10-17-28(24)25/h9-14,17-19,27H,6-8,15-16,20-21H2,1-5H3