(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enethioamide

Systemtic Name: (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enethioamide Openeye Name: (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enethioamide CAS Name: (E)-2-cyano-3-[4-(3,5-diphenyl-1-pyrazolyl)phenyl]-2-propenethioamide IUPAC Name: (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enethioamide Traditional Name: (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]thioacrylamide Formula: C25H18N4S MolecularWeight: 406.50222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C=C(C#N)C(=S)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)/C=C(\C#N)/C(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C25H18N4S/c26-17-21(25(27)30)15-18-11-13-22(14-12-18)29-24(20-9-5-2-6-10-20)16-23(28-29)19-7-3-1-4-8-19/h1-16H,(H2,27,30)/b21-15+