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

Systemtic Name: 4-[2-[5-azanyl-1-(4-methoxyphenyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[5-amino-1-(4-methoxyphenyl)-3-oxo-2H-pyrrol-4-yl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[5-amino-1-(4-methoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[5-amino-1-(4-methoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[2-amino-4-keto-1-(4-methoxyphenyl)-2-pyrrolin-3-yl]thiazol-4-yl]benzonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H16N4O2S/c1-27-16-8-6-15(7-9-16)25-11-18(26)19(20(25)23)21-24-17(12-28-21)14-4-2-13(10-22)3-5-14/h2-9,12H,11,23H2,1H3