6-iodanyl-2-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-2-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[(E)-2-oxo-4-phenyl-but-3-enyl]sulfanyl-quinazolin-4-one CAS Name: 6-iodo-2-[[(E)-2-oxo-4-phenylbut-3-enyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[[(E)-2-keto-4-phenyl-but-3-enyl]thio]quinazolin-4-one Formula: C25H19IN2O2S MolecularWeight: 538.40003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H19IN2O2S/c26-20-12-14-23-22(15-20)24(30)28(16-19-9-5-2-6-10-19)25(27-23)31-17-21(29)13-11-18-7-3-1-4-8-18/h1-15H,16-17H2/b13-11+