2-ethanimidoyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]butyronitrile Formula: C13H10N4O3S2 MolecularWeight: 334.3735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O3S2/c1-7(15)9(5-14)11(18)6-21-13-16-10-3-2-8(17(19)20)4-12(10)22-13/h2-4,9,15H,6H2,1H3