O-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]phenyl] N,N-dimethylcarbamothioate

Systemtic Name: O-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]phenyl] N,N-dimethylcarbamothioate Openeye Name: O-[2-[bis(3-isopropylpyrazol-1-yl)methyl]phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[2-[bis(3-propan-2-yl-1-pyrazolyl)methyl]phenyl] ester IUPAC Name: O-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]phenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[2-[bis(3-isopropylpyrazol-1-yl)methyl]phenyl] ester Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2OC(=S)N(C)C)N3C=CC(=N3)C(C)C

Isomeric SMILES

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2OC(=S)N(C)C)N3C=CC(=N3)C(C)C

InChI

InChI=1S/C22H29N5OS/c1-15(2)18-11-13-26(23-18)21(27-14-12-19(24-27)16(3)4)17-9-7-8-10-20(17)28-22(29)25(5)6/h7-16,21H,1-6H3