2-azanyl-5-cyano-4-phenyl-3-(phenylcarbonyl)pyrrole-1-carbothioamide

Systemtic Name: 2-azanyl-5-cyano-4-phenyl-3-(phenylcarbonyl)pyrrole-1-carbothioamide Openeye Name: 2-amino-3-benzoyl-5-cyano-4-phenyl-pyrrole-1-carbothioamide CAS Name: 2-amino-3-benzoyl-5-cyano-4-phenyl-1-pyrrolecarbothioamide IUPAC Name: 2-amino-3-benzoyl-5-cyano-4-phenylpyrrole-1-carbothioamide Traditional Name: 2-amino-3-benzoyl-5-cyano-4-phenyl-pyrrole-1-carbothioamide Formula: C19H14N4OS MolecularWeight: 346.40566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4OS/c20-11-14-15(12-7-3-1-4-8-12)16(18(21)23(14)19(22)25)17(24)13-9-5-2-6-10-13/h1-10H,21H2,(H2,22,25)