3-[5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[5-tert-butyl-2-(m-tolylmethyl)pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[5-tert-butyl-2-[(3-methylphenyl)methyl]-3-pyrazolyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[5-tert-butyl-2-(3-methylbenzyl)pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione Formula: C23H31N5S MolecularWeight: 409.59074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C3=NNC(=S)N3C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C3=NNC(=S)N3C4CCCCC4

InChI

InChI=1S/C23H31N5S/c1-16-9-8-10-17(13-16)15-27-19(14-20(26-27)23(2,3)4)21-24-25-22(29)28(21)18-11-6-5-7-12-18/h8-10,13-14,18H,5-7,11-12,15H2,1-4H3,(H,25,29)