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

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-iodanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-6-iodo-quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]-6-iodo-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-iodoquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]-6-iodo-quinazolin-4-one Formula: C22H19IN4O2S MolecularWeight: 530.38133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4)C

InChI

InChI=1S/C22H19IN4O2S/c1-14-10-15(2)27(25-14)20(28)13-30-22-24-19-9-8-17(23)11-18(19)21(29)26(22)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3