N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-isopropylsulfonyl-benzamide CAS Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide Traditional Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-isopropylsulfonyl-benzamide Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C19H19N3O5S2/c1-4-21-16-10-7-14(22(24)25)11-17(16)28-19(21)20-18(23)13-5-8-15(9-6-13)29(26,27)12(2)3/h5-12H,4H2,1-3H3