3-(4-chlorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-iodanyl-quinazolin-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-iodanyl-quinazolin-4-one Openeye Name: 3-(4-chlorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-6-iodo-quinazolin-4-one CAS Name: 3-(4-chlorophenyl)-2-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]-6-iodo-4-quinazolinone IUPAC Name: 3-(4-chlorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-iodoquinazolin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]-6-iodo-quinazolin-4-one Formula: C21H16ClIN4O2S MolecularWeight: 550.79981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H16ClIN4O2S/c1-12-9-13(2)27(25-12)19(28)11-30-21-24-18-8-5-15(23)10-17(18)20(29)26(21)16-6-3-14(22)4-7-16/h3-10H,11H2,1-2H3