3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole Formula: C30H41N3S MolecularWeight: 475.73164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C30H41N3S/c1-20-17-24(30(6,7)8)18-21(2)26(20)19-34-28-32-31-27(33(28)25-11-9-10-12-25)22-13-15-23(16-14-22)29(3,4)5/h13-18,25H,9-12,19H2,1-8H3