1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C23H20ClN3OS MolecularWeight: 421.9424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C23H20ClN3OS/c1-15-11-19(16(2)27(15)12-17-7-3-5-9-20(17)24)22(28)13-29-23-18-8-4-6-10-21(18)25-14-26-23/h3-11,14H,12-13H2,1-2H3