S-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-6-tert-butyl-4-methyl-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-6-tert-butyl-4-methyl-phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[2-[bis(3-isopropylpyrazol-1-yl)methyl]-6-tert-butyl-4-methyl-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[2-[bis(3-propan-2-yl-1-pyrazolyl)methyl]-6-tert-butyl-4-methylphenyl] ester IUPAC Name: S-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-6-tert-butyl-4-methylphenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[2-[bis(3-isopropylpyrazol-1-yl)methyl]-6-tert-butyl-4-methyl-phenyl] ester Formula: C27H39N5OS MolecularWeight: 481.69646

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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)C(C)C)N3C=CC(=N3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H39N5OS/c1-17(2)22-11-13-31(28-22)25(32-14-12-23(29-32)18(3)4)20-15-19(5)16-21(27(6,7)8)24(20)34-26(33)30(9)10/h11-18,25H,1-10H3