2-(1,3-benzothiazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)-3-keto-propionitrile Formula: C16H8ClN3O3S MolecularWeight: 357.77102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H8ClN3O3S/c17-11-6-5-9(7-13(11)20(22)23)15(21)10(8-18)16-19-12-3-1-2-4-14(12)24-16/h1-7,10H