2-[5-(azetidin-1-ylsulfonyl)-1-[(3,4-dichlorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]propanedinitrile

Systemtic Name: 2-[5-(azetidin-1-ylsulfonyl)-1-[(3,4-dichlorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]propanedinitrile Openeye Name: 2-[5-(azetidin-1-ylsulfonyl)-1-[(3,4-dichlorophenyl)methyl]-2-oxo-indolin-3-ylidene]propanedinitrile CAS Name: 2-[5-(1-azetidinylsulfonyl)-1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-indolylidene]propanedinitrile IUPAC Name: 2-[5-(azetidin-1-ylsulfonyl)-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]propanedinitrile Traditional Name: 2-[5-(azetidin-1-ylsulfonyl)-1-(3,4-dichlorobenzyl)-2-keto-indolin-3-ylidene]malononitrile Formula: C21H14Cl2N4O3S MolecularWeight: 473.33186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=C(C#N)C#N)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=C(C#N)C#N)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N4O3S/c22-17-4-2-13(8-18(17)23)12-27-19-5-3-15(31(29,30)26-6-1-7-26)9-16(19)20(21(27)28)14(10-24)11-25/h2-5,8-9H,1,6-7,12H2