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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2SC(=O)N(C)C)N3C=CC(=N3)C(C)C

Isomeric SMILES

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2SC(=O)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)29-22(28)25(5)6/h7-16,21H,1-6H3