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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylthio]-4-cyclopentyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclopentyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole Formula: C28H37N3S MolecularWeight: 447.67848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H37N3S/c1-27(2,3)22-15-11-20(12-16-22)19-32-26-30-29-25(31(26)24-9-7-8-10-24)21-13-17-23(18-14-21)28(4,5)6/h11-18,24H,7-10,19H2,1-6H3