(2S)-2-ethanimidoyl-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]-3-keto-butyronitrile Formula: C12H17N5OS2 MolecularWeight: 311.42628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C12H17N5OS2/c1-7(2)5-15-11-16-17-12(20-11)19-6-10(18)9(4-13)8(3)14/h7,9,14H,5-6H2,1-3H3,(H,15,16)/t9-/m1/s1