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

Systemtic Name: 2-cyano-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]thioacrylamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4OS/c1-16(2)15-28-21-10-8-17(9-11-21)22-19(12-18(13-24)23(25)29)14-27(26-22)20-6-4-3-5-7-20/h3-12,14,16H,15H2,1-2H3,(H2,25,29)