3-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C21H15N5O2S/c22-11-4-12-25-14-16(21(24-25)15-5-2-1-3-6-15)7-10-20-23-18-9-8-17(26(27)28)13-19(18)29-20/h1-3,5-10,13-14H,4,12H2/b10-7+