5-azanyl-3-[(Z)-2-[3,5-bis(iodanyl)-2-propan-2-yloxy-phenyl]-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-2-[3,5-bis(iodanyl)-2-propan-2-yloxy-phenyl]-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-(3,5-diiodo-2-isopropoxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-(3,5-diiodo-2-propan-2-yloxyphenyl)ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3,5-diiodo-2-propan-2-yloxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(3,5-diiodo-2-isopropoxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C22H17I2N5O MolecularWeight: 621.21222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)I)I

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)I)I

InChI

InChI=1S/C22H17I2N5O/c1-13(2)30-21-14(9-16(23)10-19(21)24)8-15(11-25)20-18(12-26)22(27)29(28-20)17-6-4-3-5-7-17/h3-10,13H,27H2,1-2H3/b15-8+