6-iodanyl-2-[2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-2-[2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-iodo-2-[[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[[2-keto-2-(5-keto-3-methyl-2-pyrazolin-1-yl)ethyl]thio]quinazolin-4-one Formula: C21H17IN4O3S MolecularWeight: 532.35415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1)C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H17IN4O3S/c1-13-9-18(27)26(24-13)19(28)12-30-21-23-17-8-7-15(22)10-16(17)20(29)25(21)11-14-5-3-2-4-6-14/h2-8,10H,9,11-12H2,1H3