2-[(5Z)-3-(3-methoxypropyl)-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanedinitrile

Systemtic Name: 2-[(5Z)-3-(3-methoxypropyl)-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanedinitrile Openeye Name: 2-[(5Z)-3-(3-methoxypropyl)-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]-4-oxo-thiazolidin-2-ylidene]propanedinitrile CAS Name: 2-[(5Z)-3-(3-methoxypropyl)-5-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]-4-oxo-2-thiazolidinylidene]propanedinitrile IUPAC Name: 2-[(5Z)-3-(3-methoxypropyl)-5-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile Traditional Name: 2-[(5Z)-4-keto-3-(3-methoxypropyl)-5-(3-nitro-4-pyrrolidino-benzylidene)thiazolidin-2-ylidene]malononitrile Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])SC1=C(C#N)C#N

Isomeric SMILES

COCCCN1C(=O)/C(=C/C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])/SC1=C(C#N)C#N

InChI

InChI=1S/C21H21N5O4S/c1-30-10-4-9-25-20(27)19(31-21(25)16(13-22)14-23)12-15-5-6-17(18(11-15)26(28)29)24-7-2-3-8-24/h5-6,11-12H,2-4,7-10H2,1H3/b19-12-