3-(1,3-benzodioxol-5-ylmethyl)-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-iodo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-iodo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-iodo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-iodo-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C16H11IN2O3S MolecularWeight: 438.23961

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)I)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)I)NC3=S

InChI

InChI=1S/C16H11IN2O3S/c17-10-2-3-12-11(6-10)15(20)19(16(23)18-12)7-9-1-4-13-14(5-9)22-8-21-13/h1-6H,7-8H2,(H,18,23)