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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C30H35N3S MolecularWeight: 469.684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H35N3S/c1-30(2,3)25-18-16-22(17-19-25)21-34-29-32-31-28(33(29)26-13-5-4-6-14-26)20-24-12-9-11-23-10-7-8-15-27(23)24/h7-12,15-19,26H,4-6,13-14,20-21H2,1-3H3