3-(9-chloranyl-1-methyl-benzo[g]indazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile

Systemtic Name: 3-(9-chloranyl-1-methyl-benzo[g]indazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile Openeye Name: 2-(benzenesulfonyl)-3-(9-chloro-1-methyl-benzo[g]indazol-3-yl)-3-oxo-propanenitrile CAS Name: 2-(benzenesulfonyl)-3-(9-chloro-1-methyl-3-benzo[g]indazolyl)-3-oxopropanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(9-chloro-1-methylbenzo[g]indazol-3-yl)-3-oxopropanenitrile Traditional Name: 2-besyl-3-(9-chloro-1-methyl-benz[g]indazol-3-yl)-3-keto-propionitrile Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O3S/c1-25-20-15(11-10-13-6-5-9-16(22)18(13)20)19(24-25)21(26)17(12-23)29(27,28)14-7-3-2-4-8-14/h2-11,17H,1H3