2-ethanimidoyl-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]butyronitrile Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4S/c1-12(22)14(10-21)18(26)11-30-20-23-15-9-13(25(27)28)7-8-16(15)24(20)17-5-3-4-6-19(17)29-2/h3-9,14,22H,11H2,1-2H3