(2Z)-4-(2-chloranyl-4-nitro-phenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-4-(2-chloranyl-4-nitro-phenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-4-(2-chloro-4-nitro-phenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2Z)-4-(2-chloro-4-nitrophenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2Z)-4-(2-chloro-4-nitrophenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2Z)-4-(2-chloro-4-nitro-phenoxy)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12ClN3O4S/c1-21-14-4-2-3-5-17(14)27-18(21)12(9-20)15(23)10-26-16-7-6-11(22(24)25)8-13(16)19/h2-8H,10H2,1H3/b18-12-