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

Systemtic Name: 4-[2-[5-azanyl-1-(2-methylpropyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(5-amino-1-isobutyl-3-oxo-2H-pyrrol-4-yl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-[5-amino-1-(2-methylpropyl)-3-oxo-2H-pyrrol-4-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[5-amino-1-(2-methylpropyl)-3-oxo-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(2-amino-1-isobutyl-4-keto-2-pyrrolin-3-yl)thiazol-4-yl]benzonitrile Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H18N4OS/c1-11(2)8-22-9-15(23)16(17(22)20)18-21-14(10-24-18)13-5-3-12(7-19)4-6-13/h3-6,10-11H,8-9,20H2,1-2H3