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

Systemtic Name: 4-[2-[5-azanyl-2-methyl-3-oxidanylidene-1-(pyridin-2-ylmethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[5-amino-2-methyl-3-oxo-1-(2-pyridylmethyl)-2H-pyrrol-4-yl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[5-amino-2-methyl-3-oxo-1-(2-pyridinylmethyl)-2H-pyrrol-4-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[5-amino-2-methyl-3-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[2-amino-4-keto-5-methyl-1-(2-pyridylmethyl)-2-pyrrolin-3-yl]thiazol-4-yl]benzonitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(N1CC2=CC=CC=N2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1C(=O)C(=C(N1CC2=CC=CC=N2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17N5OS/c1-13-19(27)18(20(23)26(13)11-16-4-2-3-9-24-16)21-25-17(12-28-21)15-7-5-14(10-22)6-8-15/h2-9,12-13H,11,23H2,1H3