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

Systemtic Name: 2-ethanimidoyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]butyronitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18N4O2S/c1-13(22)16(11-21)19(25)12-27-20-23-17-5-3-4-6-18(17)24(20)14-7-9-15(26-2)10-8-14/h3-10,16,22H,12H2,1-2H3