(2S)-2-ethanimidoyl-4-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[(1-p-phenetylbenzimidazol-2-yl)thio]butyronitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C21H20N4O2S/c1-3-27-16-10-8-15(9-11-16)25-19-7-5-4-6-18(19)24-21(25)28-13-20(26)17(12-22)14(2)23/h4-11,17,23H,3,13H2,1-2H3/t17-/m1/s1