6-iodanyl-3-oxidanidyl-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-3-ium-4-one

Systemtic Name: 6-iodanyl-3-oxidanidyl-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-3-ium-4-one Openeye Name: 3-benzyl-6-iodo-3-oxido-2-thioxo-1H-quinazolin-3-ium-4-one CAS Name: 6-iodo-3-oxido-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-3-ium-4-one IUPAC Name: 3-benzyl-6-iodo-3-oxido-2-sulfanylidene-1H-quinazolin-3-ium-4-one Traditional Name: 3-benzyl-6-iodo-3-oxido-2-thioxo-1H-quinazolin-3-ium-4-one Formula: C15H11IN2O2S MolecularWeight: 410.22951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2(C(=O)C3=C(C=CC(=C3)I)NC2=S)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2(C(=O)C3=C(C=CC(=C3)I)NC2=S)[O-]

InChI

InChI=1S/C15H11IN2O2S/c16-11-6-7-13-12(8-11)14(19)18(20,15(21)17-13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,21)