6-iodanyl-2-phenacylsulfanyl-1H-quinazolin-4-one

Systemtic Name: 6-iodanyl-2-phenacylsulfanyl-1H-quinazolin-4-one Openeye Name: 6-iodo-2-phenacylsulfanyl-1H-quinazolin-4-one CAS Name: 6-iodo-2-(phenacylthio)-1H-quinazolin-4-one IUPAC Name: 6-iodo-2-phenacylsulfanyl-1H-quinazolin-4-one Traditional Name: 6-iodo-2-(phenacylthio)-1H-quinazolin-4-one Formula: C16H11IN2O2S MolecularWeight: 422.24021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)C=CC(=C3)I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)C=CC(=C3)I

InChI

InChI=1S/C16H11IN2O2S/c17-11-6-7-13-12(8-11)15(21)19-16(18-13)22-9-14(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19,21)