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

Systemtic Name: 4-[2-(2,2-dimethyl-5-oxidanylidene-pyrrol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(2,2-dimethyl-5-oxo-pyrrol-1-yl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-(2,2-dimethyl-5-oxo-1-pyrrolyl)-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(2,2-dimethyl-5-oxopyrrol-1-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(5-keto-2,2-dimethyl-3-pyrrolin-1-yl)thiazol-4-yl]benzonitrile Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)N1C2=NC(=CS2)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1(C=CC(=O)N1C2=NC(=CS2)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C16H13N3OS/c1-16(2)8-7-14(20)19(16)15-18-13(10-21-15)12-5-3-11(9-17)4-6-12/h3-8,10H,1-2H3