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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H21N5OS/c1-16-17(2)29(13-18-8-4-3-5-9-18)23(20(16)12-25)28-22(30)14-31-24-19-10-6-7-11-21(19)26-15-27-24/h3-11,15H,13-14H2,1-2H3,(H,28,30)