6-nitro-2-[(E)-2-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)ethenyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[(E)-2-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)ethenyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[(E)-2-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)vinyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[(E)-2-[3-nitro-4-(2-pyrimidinylthio)phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(E)-2-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[(E)-2-[3-nitro-4-(2-pyrimidylthio)phenyl]vinyl]-1,3-benzothiazole Formula: C19H11N5O4S2 MolecularWeight: 437.45174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)C=CC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)/C=C/C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H11N5O4S2/c25-23(26)13-4-5-14-17(11-13)29-18(22-14)7-3-12-2-6-16(15(10-12)24(27)28)30-19-20-8-1-9-21-19/h1-11H/b7-3+