6-iodanyl-3-(3-methylbutanoyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-iodanyl-3-(3-methylbutanoyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-iodo-3-(3-methylbutanoyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6-iodo-3-(3-methyl-1-oxobutyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-iodo-3-(3-methylbutanoyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-iodo-3-isovaleryl-2-thioxo-1H-quinazolin-4-one Formula: C13H13IN2O2S MolecularWeight: 388.22399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(=O)C2=C(C=CC(=C2)I)NC1=S

Isomeric SMILES

CC(C)CC(=O)N1C(=O)C2=C(C=CC(=C2)I)NC1=S

InChI

InChI=1S/C13H13IN2O2S/c1-7(2)5-11(17)16-12(18)9-6-8(14)3-4-10(9)15-13(16)19/h3-4,6-7H,5H2,1-2H3,(H,15,19)