2-ethanimidoyl-3-oxidanylidene-4-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-butanenitrile Openeye Name: 4-(1-allylbenzimidazol-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(1-prop-2-enyl-2-benzimidazolyl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(1-prop-2-enylbenzimidazol-2-yl)sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-4-[(1-allylbenzimidazol-2-yl)thio]-3-keto-butyronitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1CC=C

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1CC=C

InChI

InChI=1S/C16H16N4OS/c1-3-8-20-14-7-5-4-6-13(14)19-16(20)22-10-15(21)12(9-17)11(2)18/h3-7,12,18H,1,8,10H2,2H3