(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-(4-methylthiazol-2-yl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2R)-2-(4-methyl-2-thiazolyl)-4-[(1-oxido-2-pyridin-1-iumyl)thio]-3-oxobutanenitrile IUPAC Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2R)-3-keto-2-(4-methylthiazol-2-yl)-4-[(1-oxidopyridin-1-ium-2-yl)thio]butyronitrile Formula: C13H11N3O2S2 MolecularWeight: 305.37534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H11N3O2S2/c1-9-7-20-13(15-9)10(6-14)11(17)8-19-12-4-2-3-5-16(12)18/h2-5,7,10H,8H2,1H3/t10-/m1/s1