8-iodanyl-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione

Systemtic Name: 8-iodanyl-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione Openeye Name: 8-iodo-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione CAS Name: 8-iodo-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione IUPAC Name: 8-iodo-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione Traditional Name: 8-iodo-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione Formula: C17H13IN4S MolecularWeight: 432.28139

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N2C(=N1)CN=C(C3=C2C=CC(=C3)I)C4=CC=CC=C4

Isomeric SMILES

CN1C(=S)N2C(=N1)CN=C(C3=C2C=CC(=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C17H13IN4S/c1-21-17(23)22-14-8-7-12(18)9-13(14)16(19-10-15(22)20-21)11-5-3-2-4-6-11/h2-9H,10H2,1H3