2-ethylsulfanyl-6-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-1H-benzimidazole

Systemtic Name: 2-ethylsulfanyl-6-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-1H-benzimidazole Openeye Name: 2-ethylsulfanyl-6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-1H-benzimidazole CAS Name: 2-(ethylthio)-6-[3-(4-fluorophenyl)-1-(triphenylmethyl)-4-pyrazolyl]-1H-benzimidazole IUPAC Name: 2-ethylsulfanyl-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-1H-benzimidazole Traditional Name: 2-(ethylthio)-6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-1H-benzimidazole Formula: C37H29FN4S MolecularWeight: 580.716363

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1)C=C(C=C2)C3=CN(N=C3C4=CC=C(C=C4)F)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCSC1=NC2=C(N1)C=C(C=C2)C3=CN(N=C3C4=CC=C(C=C4)F)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H29FN4S/c1-2-43-36-39-33-23-20-27(24-34(33)40-36)32-25-42(41-35(32)26-18-21-31(38)22-19-26)37(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-25H,2H2,1H3,(H,39,40)