S-[2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methyl-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methyl-phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methyl-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[2-[bis(1-pyrazolyl)methyl]-6-tert-butyl-4-methylphenyl] ester IUPAC Name: S-[2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methylphenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methyl-phenyl] ester Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)SC(=O)N(C)C)C(N2C=CC=N2)N3C=CC=N3

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)SC(=O)N(C)C)C(N2C=CC=N2)N3C=CC=N3

InChI

InChI=1S/C21H27N5OS/c1-15-13-16(19(25-11-7-9-22-25)26-12-8-10-23-26)18(28-20(27)24(5)6)17(14-15)21(2,3)4/h7-14,19H,1-6H3