6-iodanyl-3-(phenylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-iodanyl-3-(phenylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-iodo-3-(phenylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylthio]-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methylthio]quinazolin-4-one Formula: C18H13IN4O2S2 MolecularWeight: 508.35589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NNC(=S)O4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NNC(=S)O4

InChI

InChI=1S/C18H13IN4O2S2/c19-12-6-7-14-13(8-12)16(24)23(9-11-4-2-1-3-5-11)17(20-14)27-10-15-21-22-18(26)25-15/h1-8H,9-10H2,(H,22,26)