S-[2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enethioate

Systemtic Name: S-[2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enethioate Openeye Name: S-[2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enethioate CAS Name: (E)-2-cyano-3-phenyl-2-propenethioic acid S-[2-[[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]phenyl] ester IUPAC Name: S-[2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]phenyl] (E)-2-cyano-3-phenylprop-2-enethioate Traditional Name: (E)-2-cyano-3-phenyl-prop-2-enethioic acid S-[2-[[(E)-2-cyano-3-phenyl-acryloyl]amino]phenyl] ester Formula: C26H17N3O2S MolecularWeight: 435.49708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2SC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2SC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C26H17N3O2S/c27-17-21(15-19-9-3-1-4-10-19)25(30)29-23-13-7-8-14-24(23)32-26(31)22(18-28)16-20-11-5-2-6-12-20/h1-16H,(H,29,30)/b21-15+,22-16+