(2S)-3-oxidanylidene-2-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanenitrile

Systemtic Name: (2S)-3-oxidanylidene-2-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanenitrile Openeye Name: (2S)-3-oxo-2-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanenitrile CAS Name: (2S)-3-oxo-2-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanenitrile IUPAC Name: (2S)-3-oxo-2-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanenitrile Traditional Name: (2S)-3-keto-2-(5-phenyl-1,3,4-thiadiazol-2-yl)valeronitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C#N)C1=NN=C(S1)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)[C@H](C#N)C1=NN=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C13H11N3OS/c1-2-11(17)10(8-14)13-16-15-12(18-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3/t10-/m0/s1