5-nitro-2-[(E)-2-(1-phenylpyrazol-4-yl)ethenyl]-1,3-benzothiazole

Systemtic Name: 5-nitro-2-[(E)-2-(1-phenylpyrazol-4-yl)ethenyl]-1,3-benzothiazole Openeye Name: 5-nitro-2-[(E)-2-(1-phenylpyrazol-4-yl)vinyl]-1,3-benzothiazole CAS Name: 5-nitro-2-[(E)-2-(1-phenyl-4-pyrazolyl)ethenyl]-1,3-benzothiazole IUPAC Name: 5-nitro-2-[(E)-2-(1-phenylpyrazol-4-yl)ethenyl]-1,3-benzothiazole Traditional Name: 5-nitro-2-[(E)-2-(1-phenylpyrazol-4-yl)vinyl]-1,3-benzothiazole Formula: C18H12N4O2S MolecularWeight: 348.37848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O2S/c23-22(24)15-7-8-17-16(10-15)20-18(25-17)9-6-13-11-19-21(12-13)14-4-2-1-3-5-14/h1-12H/b9-6+