methyl 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoate

Systemtic Name: methyl 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoate Openeye Name: methyl 2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]sulfanyl]benzoate CAS Name: 2-[[3-[(E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoate Traditional Name: 2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]thio]benzoic acid methyl ester Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C22H17N3O2S/c1-27-22(26)18-7-2-3-8-21(18)28-16-10-11-17-19(24-25-20(17)14-16)12-9-15-6-4-5-13-23-15/h2-14H,1H3,(H,24,25)/b12-9+