6-iodanyl-3-(phenylmethyl)-2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-3-(phenylmethyl)-2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 6-iodo-3-(phenylmethyl)-2-(1,3,4-thiadiazol-2-ylmethylthio)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-(1,3,4-thiadiazol-2-ylmethylthio)quinazolin-4-one Formula: C18H13IN4OS2 MolecularWeight: 492.35649

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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=NN=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NN=CS4

InChI

InChI=1S/C18H13IN4OS2/c19-13-6-7-15-14(8-13)17(24)23(9-12-4-2-1-3-5-12)18(21-15)25-10-16-22-20-11-26-16/h1-8,11H,9-10H2