1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H19N3OS/c1-15-12-19(16(2)25(15)17-8-4-3-5-9-17)21(26)13-27-22-18-10-6-7-11-20(18)23-14-24-22/h3-12,14H,13H2,1-2H3