2-cyano-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]thioacrylamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3S/c1-28-18-8-7-13(10-17(18)25(26)27)19-15(9-14(11-21)20(22)29)12-24(23-19)16-5-3-2-4-6-16/h2-10,12H,1H3,(H2,22,29)