3-(8-fluoranyl-1-methyl-benzo[g]indazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile

Systemtic Name: 3-(8-fluoranyl-1-methyl-benzo[g]indazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile Openeye Name: 2-(benzenesulfonyl)-3-(8-fluoro-1-methyl-benzo[g]indazol-3-yl)-3-oxo-propanenitrile CAS Name: 2-(benzenesulfonyl)-3-(8-fluoro-1-methyl-3-benzo[g]indazolyl)-3-oxopropanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(8-fluoro-1-methylbenzo[g]indazol-3-yl)-3-oxopropanenitrile Traditional Name: 2-besyl-3-(8-fluoro-1-methyl-benz[g]indazol-3-yl)-3-keto-propionitrile Formula: C21H14FN3O3S MolecularWeight: 407.417563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=C2C=C(C=C3)F)C(=N1)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=CC3=C2C=C(C=C3)F)C(=N1)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H14FN3O3S/c1-25-20-16(10-8-13-7-9-14(22)11-17(13)20)19(24-25)21(26)18(12-23)29(27,28)15-5-3-2-4-6-15/h2-11,18H,1H3