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

Systemtic Name: 4-[[5-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-[(3S)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[5-[[(3S)-3-cyano-4-imino-2-oxopentyl]thio]-1,3,4-thiadiazol-2-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[5-[(3S)-3-cyano-4-imino-2-oxopentyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-[[(3S)-3-cyano-4-imino-2-keto-pentyl]thio]-1,3,4-thiadiazol-2-yl]thio]-3-keto-butyronitrile Formula: C14H14N6O2S3 MolecularWeight: 394.49496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(S1)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(=N)[C@@H](C#N)C(=O)CSC1=NN=C(S1)SCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C14H14N6O2S3/c1-7(17)9(3-15)11(21)5-23-13-19-20-14(25-13)24-6-12(22)10(4-16)8(2)18/h9-10,17-18H,5-6H2,1-2H3/t9-,10?/m1/s1