(2R)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-3-oxidanylidene-propanenitrile Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-3-oxo-propanenitrile CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-3-oxopropanenitrile IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-3-oxopropanenitrile Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-keto-3-(4-nitrophenyl)propionitrile Formula: C16H9N3O3S MolecularWeight: 323.32596

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H9N3O3S/c17-9-12(16-18-13-3-1-2-4-14(13)23-16)15(20)10-5-7-11(8-6-10)19(21)22/h1-8,12H/t12-/m1/s1