3-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]phenyl]sulfanyl-1,1-diphenyl-propane-1-thiol

Systemtic Name: 3-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]phenyl]sulfanyl-1,1-diphenyl-propane-1-thiol Openeye Name: 3-[2-[bis(3-isopropylpyrazol-1-yl)methyl]phenyl]sulfanyl-1,1-diphenyl-propane-1-thiol CAS Name: 3-[[2-[bis(3-propan-2-yl-1-pyrazolyl)methyl]phenyl]thio]-1,1-diphenyl-1-propanethiol IUPAC Name: 3-[2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]phenyl]sulfanyl-1,1-diphenylpropane-1-thiol Traditional Name: 3-[[2-[bis(3-isopropylpyrazol-1-yl)methyl]phenyl]thio]-1,1-diphenyl-propane-1-thiol Formula: C34H38N4S2 MolecularWeight: 566.82232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2SCCC(C3=CC=CC=C3)(C4=CC=CC=C4)S)N5C=CC(=N5)C(C)C

Isomeric SMILES

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2SCCC(C3=CC=CC=C3)(C4=CC=CC=C4)S)N5C=CC(=N5)C(C)C

InChI

InChI=1S/C34H38N4S2/c1-25(2)30-19-22-37(35-30)33(38-23-20-31(36-38)26(3)4)29-17-11-12-18-32(29)40-24-21-34(39,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-20,22-23,25-26,33,39H,21,24H2,1-4H3