(2E)-2-(1,3-benzothiazol-2-yl)-2-[(2-chloranyl-5-nitro-phenyl)hydrazinylidene]ethanenitrile

Systemtic Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[(2-chloranyl-5-nitro-phenyl)hydrazinylidene]ethanenitrile Openeye Name: (2E)-N-(2-chloro-5-nitro-anilino)-1,3-benzothiazole-2-carboximidoyl cyanide CAS Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[(2-chloro-5-nitrophenyl)hydrazinylidene]acetonitrile IUPAC Name: (2E)-N-(2-chloro-5-nitroanilino)-1,3-benzothiazole-2-carboximidoyl cyanide Traditional Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[(2-chloro-5-nitro-phenyl)hydrazono]acetonitrile Formula: C15H8ClN5O2S MolecularWeight: 357.77432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=NNC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=N/NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)/C#N

InChI

InChI=1S/C15H8ClN5O2S/c16-10-6-5-9(21(22)23)7-12(10)19-20-13(8-17)15-18-11-3-1-2-4-14(11)24-15/h1-7,19H/b20-13+