N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C23H19N5OS/c1-15-16(2)28(17-8-4-3-5-9-17)22(19(15)12-24)27-21(29)13-30-23-18-10-6-7-11-20(18)25-14-26-23/h3-11,14H,13H2,1-2H3,(H,27,29)