2-[5-(azetidin-1-ylsulfonyl)-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]propanedinitrile

Systemtic Name: 2-[5-(azetidin-1-ylsulfonyl)-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]propanedinitrile Openeye Name: 2-[5-(azetidin-1-ylsulfonyl)-1-benzyl-2-oxo-indolin-3-ylidene]propanedinitrile CAS Name: 2-[5-(1-azetidinylsulfonyl)-2-oxo-1-(phenylmethyl)-3-indolylidene]propanedinitrile IUPAC Name: 2-[5-(azetidin-1-ylsulfonyl)-1-benzyl-2-oxoindol-3-ylidene]propanedinitrile Traditional Name: 2-[5-(azetidin-1-ylsulfonyl)-1-benzyl-2-keto-indolin-3-ylidene]malononitrile Formula: C21H16N4O3S MolecularWeight: 404.44174

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3S/c22-12-16(13-23)20-18-11-17(29(27,28)24-9-4-10-24)7-8-19(18)25(21(20)26)14-15-5-2-1-3-6-15/h1-3,5-8,11H,4,9-10,14H2