2-ethylsulfanyl-1-(4-fluorophenyl)-5-(1H-pyrazol-4-yl)-3-(triphenylmethyl)-2H-benzimidazole

Systemtic Name: 2-ethylsulfanyl-1-(4-fluorophenyl)-5-(1H-pyrazol-4-yl)-3-(triphenylmethyl)-2H-benzimidazole Openeye Name: 2-ethylsulfanyl-1-(4-fluorophenyl)-5-(1H-pyrazol-4-yl)-3-trityl-2H-benzimidazole CAS Name: 2-(ethylthio)-1-(4-fluorophenyl)-5-(1H-pyrazol-4-yl)-3-(triphenylmethyl)-2H-benzimidazole IUPAC Name: 2-ethylsulfanyl-1-(4-fluorophenyl)-5-(1H-pyrazol-4-yl)-3-trityl-2H-benzimidazole Traditional Name: 2-(ethylthio)-1-(4-fluorophenyl)-5-(1H-pyrazol-4-yl)-3-trityl-2H-benzimidazole Formula: C37H31FN4S MolecularWeight: 582.732243

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1N(C2=C(N1C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)C6=CNN=C6)C7=CC=C(C=C7)F

Isomeric SMILES

CCSC1N(C2=C(N1C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)C6=CNN=C6)C7=CC=C(C=C7)F

InChI

InChI=1S/C37H31FN4S/c1-2-43-36-41(33-21-19-32(38)20-22-33)34-23-18-27(28-25-39-40-26-28)24-35(34)42(36)37(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31/h3-26,36H,2H2,1H3,(H,39,40)