(3E)-3-[4-[(2-tert-butylsulfanylethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[4-[(2-tert-butylsulfanylethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-[(2-tert-butylsulfanylethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-[[2-(tert-butylthio)ethylamino]methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-[(2-tert-butylsulfanylethylamino)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-[[2-(tert-butylthio)ethylamino]methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C23H25N5S MolecularWeight: 403.5431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNCC1=CC=CC2=NC(=C3C4=C(C=C(C=C4)C#N)NN3)C=C21

Isomeric SMILES

CC(C)(C)SCCNCC1=CC=CC2=N/C(=C/3\C4=C(C=C(C=C4)C#N)NN3)/C=C21

InChI

InChI=1S/C23H25N5S/c1-23(2,3)29-10-9-25-14-16-5-4-6-19-18(16)12-21(26-19)22-17-8-7-15(13-24)11-20(17)27-28-22/h4-8,11-12,25,27-28H,9-10,14H2,1-3H3/b22-21+