4-[2-[5-azanyl-2-methyl-1-(3-morpholin-4-ylpropyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[5-azanyl-2-methyl-1-(3-morpholin-4-ylpropyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[5-amino-2-methyl-1-(3-morpholinopropyl)-3-oxo-2H-pyrrol-4-yl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[5-amino-2-methyl-1-[3-(4-morpholinyl)propyl]-3-oxo-2H-pyrrol-4-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[5-amino-2-methyl-1-(3-morpholin-4-ylpropyl)-3-oxo-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[2-amino-4-keto-5-methyl-1-(3-morpholinopropyl)-2-pyrrolin-3-yl]thiazol-4-yl]benzonitrile Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(N1CCCN2CCOCC2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1C(=O)C(=C(N1CCCN2CCOCC2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H25N5O2S/c1-15-20(28)19(21(24)27(15)8-2-7-26-9-11-29-12-10-26)22-25-18(14-30-22)17-5-3-16(13-23)4-6-17/h3-6,14-15H,2,7-12,24H2,1H3