2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]-3-keto-butyronitrile Formula: C21H19N5OS2 MolecularWeight: 421.53846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C21H19N5OS2/c1-4-13-9-14-19(23-12-24-20(14)29-13)28-11-18(27)15(10-22)21-25(2)16-7-5-6-8-17(16)26(21)3/h5-9,12H,4,11H2,1-3H3