2,5-dimethyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]benzenesulfonamide Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S2/c1-13-4-5-14(2)18(10-13)30(27,28)23-22-12-15-6-7-17(16(11-15)24(25)26)29-19-20-8-3-9-21-19/h3-12,23H,1-2H3/b22-12+