2-[2-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-5-(diethylamino)phenoxy]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[2-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-5-(diethylamino)phenoxy]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[2-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-5-(diethylamino)phenoxy]-N-(3-nitrophenyl)acetamide CAS Name: 2-[2-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-5-(diethylamino)phenoxy]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[2-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-5-(diethylamino)phenoxy]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[2-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-5-(diethylamino)phenoxy]-N-(3-nitrophenyl)acetamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C(=S)N)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C(=S)N)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-3-26(4-2)18-9-8-15(10-16(13-23)22(24)32)20(12-18)31-14-21(28)25-17-6-5-7-19(11-17)27(29)30/h5-12H,3-4,14H2,1-2H3,(H2,24,32)(H,25,28)