2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]butyronitrile Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)OC)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H21N5O2S/c1-26-19-6-4-5-7-20(19)27(2)22(26)18(14-24)21(29)15-31-23-25-12-13-28(23)16-8-10-17(30-3)11-9-16/h4-13H,15H2,1-3H3