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

Systemtic Name: 3-[5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-cyclohexyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[5-tert-butyl-2-(m-tolylmethyl)pyrazol-3-yl]-4-cyclohexyl-1,2,4-triazole CAS Name: 3-[5-tert-butyl-2-[(3-methylphenyl)methyl]-3-pyrazolyl]-4-cyclohexyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-cyclohexyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[5-tert-butyl-2-(3-methylbenzyl)pyrazol-3-yl]-4-cyclohexyl-1,2,4-triazole Formula: C30H37N5S MolecularWeight: 499.71328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C3=NN=C(N3C4CCCCC4)SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C3=NN=C(N3C4CCCCC4)SCC5=CC=CC=C5

InChI

InChI=1S/C30H37N5S/c1-22-12-11-15-24(18-22)20-34-26(19-27(33-34)30(2,3)4)28-31-32-29(35(28)25-16-9-6-10-17-25)36-21-23-13-7-5-8-14-23/h5,7-8,11-15,18-19,25H,6,9-10,16-17,20-21H2,1-4H3