3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]acrylonitrile Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S/c1-29-20-8-7-15(9-16(20)13-23-14-17(12-22-23)24(25)26)10-19(11-21)30(27,28)18-5-3-2-4-6-18/h2-10,12,14H,13H2,1H3