4-[5-fluoranyl-3-[(3Z)-3-indol-3-ylidene-5-oxidanylidene-1,2,4-triazolidin-4-yl]indol-1-yl]butanenitrile

Systemtic Name: 4-[5-fluoranyl-3-[(3Z)-3-indol-3-ylidene-5-oxidanylidene-1,2,4-triazolidin-4-yl]indol-1-yl]butanenitrile Openeye Name: 4-[5-fluoro-3-[(3Z)-3-indol-3-ylidene-5-oxo-1,2,4-triazolidin-4-yl]indol-1-yl]butanenitrile CAS Name: 4-[5-fluoro-3-[(3Z)-3-(3-indolylidene)-5-oxo-1,2,4-triazolidin-4-yl]-1-indolyl]butanenitrile IUPAC Name: 4-[5-fluoro-3-[(3Z)-3-indol-3-ylidene-5-oxo-1,2,4-triazolidin-4-yl]indol-1-yl]butanenitrile Traditional Name: 4-[5-fluoro-3-[(3Z)-3-indol-3-ylidene-5-keto-1,2,4-triazolidin-4-yl]indol-1-yl]butyronitrile Formula: C22H17FN6O MolecularWeight: 400.408383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCC#N)C=N2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\3/NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCC#N)/C=N2

InChI

InChI=1S/C22H17FN6O/c23-14-7-8-19-16(11-14)20(13-28(19)10-4-3-9-24)29-21(26-27-22(29)30)17-12-25-18-6-2-1-5-15(17)18/h1-2,5-8,11-13,26H,3-4,10H2,(H,27,30)/b21-17-