(E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enethioamide

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enethioamide Openeye Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enethioamide CAS Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenethioamide IUPAC Name: (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enethioamide Traditional Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-thioacrylamide Formula: C19H13ClN4S MolecularWeight: 364.85132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C19H13ClN4S/c20-16-8-6-13(7-9-16)18-15(10-14(11-21)19(22)25)12-24(23-18)17-4-2-1-3-5-17/h1-10,12H,(H2,22,25)/b14-10+