(3E)-3-[5-(4-methylpiperazin-1-yl)sulfonylindol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[5-(4-methylpiperazin-1-yl)sulfonylindol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[5-(4-methylpiperazin-1-yl)sulfonylindol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[5-(4-methylpiperazin-1-yl)sulfonylindol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[5-(4-methylpiperazino)sulfonylindol-2-ylidene]indazoline-6-carbonitrile Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC3=CC(=C4C5=C(C=C(C=C5)C#N)NN4)N=C3C=C2

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC3=C/C(=C\4/C5=C(C=C(C=C5)C#N)NN4)/N=C3C=C2

InChI

InChI=1S/C21H20N6O2S/c1-26-6-8-27(9-7-26)30(28,29)16-3-5-18-15(11-16)12-20(23-18)21-17-4-2-14(13-22)10-19(17)24-25-21/h2-5,10-12,24-25H,6-9H2,1H3/b21-20+