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

Systemtic Name: 6-iodanyl-2-[(5-oxidanylidene-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[(5-oxo-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-iodo-2-[(5-oxo-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-[(5-oxo-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[(5-keto-2,6-dihydro-1H-1,2,4-triazin-3-yl)methylthio]quinazolin-4-one Formula: C19H16IN5O2S MolecularWeight: 505.33211

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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)N2CC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N=C(NN1)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C19H16IN5O2S/c20-13-6-7-15-14(8-13)18(27)25(10-12-4-2-1-3-5-12)19(22-15)28-11-16-23-17(26)9-21-24-16/h1-8,21H,9-11H2,(H,23,24,26)