3-[2-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]sulfanyl-1,1-diphenyl-propane-1-thiol

Systemtic Name: 3-[2-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]sulfanyl-1,1-diphenyl-propane-1-thiol Openeye Name: 3-[2-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]sulfanyl-1,1-diphenyl-propane-1-thiol CAS Name: 3-[[2-[bis(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]thio]-1,1-diphenyl-1-propanethiol IUPAC Name: 3-[2-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]sulfanyl-1,1-diphenylpropane-1-thiol Traditional Name: 3-[[2-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thio]-1,1-diphenyl-propane-1-thiol Formula: C32H34N4S2 MolecularWeight: 538.76916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C2=CC=CC=C2SCCC(C3=CC=CC=C3)(C4=CC=CC=C4)S)N5C(=CC(=N5)C)C)C

Isomeric SMILES

CC1=CC(=NN1C(C2=CC=CC=C2SCCC(C3=CC=CC=C3)(C4=CC=CC=C4)S)N5C(=CC(=N5)C)C)C

InChI

InChI=1S/C32H34N4S2/c1-23-21-25(3)35(33-23)31(36-26(4)22-24(2)34-36)29-17-11-12-18-30(29)38-20-19-32(37,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-18,21-22,31,37H,19-20H2,1-4H3