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

Systemtic Name: 2-ethyl-8-iodanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione Openeye Name: 2-ethyl-8-iodo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione CAS Name: 2-ethyl-8-iodo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione IUPAC Name: 2-ethyl-8-iodo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione Traditional Name: 2-ethyl-8-iodo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-thione Formula: C18H15IN4S MolecularWeight: 446.30797

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)N2C(=N1)CN=C(C3=C2C=CC(=C3)I)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=S)N2C(=N1)CN=C(C3=C2C=CC(=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C18H15IN4S/c1-2-22-18(24)23-15-9-8-13(19)10-14(15)17(20-11-16(23)21-22)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3