2-(4-chlorophenyl)-3,4-diphenyl-7-prop-2-enylsulfanyl-pyrazolo[3,4-d]pyridazine

Systemtic Name: 2-(4-chlorophenyl)-3,4-diphenyl-7-prop-2-enylsulfanyl-pyrazolo[3,4-d]pyridazine Openeye Name: 7-allylsulfanyl-2-(4-chlorophenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazine CAS Name: 2-(4-chlorophenyl)-3,4-diphenyl-7-(prop-2-enylthio)pyrazolo[3,4-d]pyridazine IUPAC Name: 2-(4-chlorophenyl)-3,4-diphenyl-7-prop-2-enylsulfanylpyrazolo[3,4-d]pyridazine Traditional Name: 7-(allylthio)-2-(4-chlorophenyl)-3,4-diphenyl-pyrazolo[3,4-d]pyridazine Formula: C26H19ClN4S MolecularWeight: 454.97386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(C2=C(N(N=C21)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCSC1=NN=C(C2=C(N(N=C21)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN4S/c1-2-17-32-26-24-22(23(28-29-26)18-9-5-3-6-10-18)25(19-11-7-4-8-12-19)31(30-24)21-15-13-20(27)14-16-21/h2-16H,1,17H2