2-(1,3-benzothiazol-2-yl)-4-[[2-(1,3-benzothiazol-2-yl)-5-heptadecyl-3-oxidanylidene-1H-pyrazol-4-yl]-phenyl-methyl]-5-heptadecyl-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-(1,3-benzothiazol-2-yl)-5-heptadecyl-3-oxidanylidene-1H-pyrazol-4-yl]-phenyl-methyl]-5-heptadecyl-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-(1,3-benzothiazol-2-yl)-5-heptadecyl-3-oxo-1H-pyrazol-4-yl]-phenyl-methyl]-5-heptadecyl-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-(1,3-benzothiazol-2-yl)-5-heptadecyl-3-oxo-1H-pyrazol-4-yl]-phenylmethyl]-5-heptadecyl-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-(1,3-benzothiazol-2-yl)-5-heptadecyl-3-oxo-1H-pyrazol-4-yl]-phenylmethyl]-5-heptadecyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[1-(1,3-benzothiazol-2-yl)-3-heptadecyl-5-keto-3-pyrazolin-4-yl]-phenyl-methyl]-5-heptadecyl-3-pyrazolin-3-one Formula: C61H86N6O2S2 MolecularWeight: 999.50454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(C4=CC=CC=C4)C5=C(NN(C5=O)C6=NC7=CC=CC=C7S6)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(C4=CC=CC=C4)C5=C(NN(C5=O)C6=NC7=CC=CC=C7S6)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C61H86N6O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-44-51-56(58(68)66(64-51)60-62-49-42-36-38-46-53(49)70-60)55(48-40-32-31-33-41-48)57-52(65-67(59(57)69)61-63-50-43-37-39-47-54(50)71-61)45-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36-43,46-47,55,64-65H,3-30,34-35,44-45H2,1-2H3