2-cyano-3-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)prop-2-enethioamide

Systemtic Name: 2-cyano-3-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)prop-2-enethioamide Openeye Name: 2-cyano-3-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)prop-2-enethioamide CAS Name: 2-cyano-3-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-propenethioamide IUPAC Name: 2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)prop-2-enethioamide Traditional Name: 2-cyano-3-(2-keto-1,3-dimethyl-benzimidazol-5-yl)thioacrylamide Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=C(C#N)C(=S)N)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C=C(C#N)C(=S)N)N(C1=O)C

InChI

InChI=1S/C13H12N4OS/c1-16-10-4-3-8(5-9(7-14)12(15)19)6-11(10)17(2)13(16)18/h3-6H,1-2H3,(H2,15,19)