3-[(4-chlorophenyl)methyl]-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(4-chlorophenyl)methyl]-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(4-chlorophenyl)methyl]-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-[(4-chlorophenyl)methyl]-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(4-chlorobenzyl)-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CN3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CN3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O2S/c22-15-9-7-14(8-10-15)12-25-20(27)16-4-1-2-5-17(16)24-21(25)28-13-19(26)18-6-3-11-23-18/h1-11,23H,12-13H2