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

Systemtic Name: 1-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C22H17Cl2N3OS MolecularWeight: 442.36088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2N3OS/c1-13-9-17(14(2)27(13)15-7-8-18(23)19(24)10-15)21(28)11-29-22-16-5-3-4-6-20(16)25-12-26-22/h3-10,12H,11H2,1-2H3