5-(4-chloranyl-3-methyl-phenoxy)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)pentanenitrile

Systemtic Name: 5-(4-chloranyl-3-methyl-phenoxy)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)pentanenitrile Openeye Name: 5-(4-chloro-3-methyl-phenoxy)-3-oxo-2-(4-phenylthiazol-2-yl)pentanenitrile CAS Name: 5-(4-chloro-3-methylphenoxy)-3-oxo-2-(4-phenyl-2-thiazolyl)pentanenitrile IUPAC Name: 5-(4-chloro-3-methylphenoxy)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)pentanenitrile Traditional Name: 5-(4-chloro-3-methyl-phenoxy)-3-keto-2-(4-phenylthiazol-2-yl)valeronitrile Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-14-11-16(7-8-18(14)22)26-10-9-20(25)17(12-23)21-24-19(13-27-21)15-5-3-2-4-6-15/h2-8,11,13,17H,9-10H2,1H3