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S-[2-[1-(triphenylmethyl)pyrazol-4-yl]ethyl] benzenecarbothioate

S-[2-[1-(triphenylmethyl)pyrazol-4-yl]ethyl] benzenecarbothioate

Systemtic Name:S-[2-[1-(triphenylmethyl)pyrazol-4-yl]ethyl] benzenecarbothioate
Openeye Name:S-[2-(1-tritylpyrazol-4-yl)ethyl] benzenecarbothioate
CAS Name:benzenecarbothioic acid S-[2-[1-(triphenylmethyl)-4-pyrazolyl]ethyl] ester
IUPAC Name:S-[2-(1-tritylpyrazol-4-yl)ethyl] benzenecarbothioate
Traditional Name:thiobenzoic acid S-[2-(1-tritylpyrazol-4-yl)ethyl] ester
Formula: C31H26N2OS
MolecularWeight: 474.61594
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCC2=CN(N=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5


Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCC2=CN(N=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5


InChI

InChI=1S/C31H26N2OS/c34-30(26-13-5-1-6-14-26)35-22-21-25-23-32-33(24-25)31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,23-24H,21-22H2


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