(2S)-2-cyano-3-oxidanylidene-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylmethyl)butanamide

Systemtic Name: (2S)-2-cyano-3-oxidanylidene-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: (2S)-4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-2-cyano-3-oxo-butanamide CAS Name: (2S)-4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-2-cyano-3-oxo-N-(phenylmethyl)butanamide IUPAC Name: (2S)-4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-2-cyano-3-oxobutanamide Traditional Name: (2S)-4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-benzyl-2-cyano-3-keto-butyramide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C#N)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@@H](C#N)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C20H17N5O2S2/c21-11-16(18(27)22-12-14-7-3-1-4-8-14)17(26)13-28-20-25-24-19(29-20)23-15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,22,27)(H,23,24)/t16-/m0/s1