3-azanyl-2-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-azanyl-2-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-amino-2-[2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-amino-2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-amino-2-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-amino-2-[[2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2N

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C17H14ClN3O2S/c1-10(15(22)11-6-8-12(18)9-7-11)24-17-20-14-5-3-2-4-13(14)16(23)21(17)19/h2-10H,19H2,1H3