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

Systemtic Name: 4-[2-(5-azanyl-3-oxidanylidene-1-phenethyl-2H-pyrrol-4-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(5-amino-3-oxo-1-phenethyl-2H-pyrrol-4-yl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-(5-amino-3-oxo-1-phenethyl-2H-pyrrol-4-yl)-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(5-amino-3-oxo-1-phenethyl-2H-pyrrol-4-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(2-amino-4-keto-1-phenethyl-2-pyrrolin-3-yl)thiazol-4-yl]benzonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CCC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C(=O)C(=C(N1CCC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H18N4OS/c23-12-16-6-8-17(9-7-16)18-14-28-22(25-18)20-19(27)13-26(21(20)24)11-10-15-4-2-1-3-5-15/h1-9,14H,10-11,13,24H2