6-iodanyl-2-[(5-oxidanylidene-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 6-iodanyl-2-[(5-oxidanylidene-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 6-iodo-2-[(5-oxo-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 6-iodo-2-[(5-oxo-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 6-iodo-2-[(5-oxo-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 6-iodo-2-[(5-keto-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylthio]-3-phenyl-quinazolin-4-one Formula: C18H14IN5O2S MolecularWeight: 491.30553

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C(NN1)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N=C(NN1)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C18H14IN5O2S/c19-11-6-7-14-13(8-11)17(26)24(12-4-2-1-3-5-12)18(21-14)27-10-15-22-16(25)9-20-23-15/h1-8,20H,9-10H2,(H,22,23,25)