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

Systemtic Name: 4-bromanyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzenesulfonamide Openeye Name: 4-bromo-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzenesulfonamide CAS Name: 4-bromo-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]benzenesulfonamide IUPAC Name: 4-bromo-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzenesulfonamide Traditional Name: 4-bromo-N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]benzenesulfonamide Formula: C17H12BrN5O4S2 MolecularWeight: 494.34228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)C=NNS(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)/C=N/NS(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN5O4S2/c18-13-3-5-14(6-4-13)29(26,27)22-21-11-12-2-7-16(15(10-12)23(24)25)28-17-19-8-1-9-20-17/h1-11,22H/b21-11+