8-bromanyl-6-methylsulfanyl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-bromanyl-6-methylsulfanyl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-bromo-6-methylsulfanyl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-bromo-6-(methylthio)-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-bromo-6-methylsulfanyl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-bromo-6-(methylthio)-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C14H15BrN4S MolecularWeight: 351.2647

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)SC

Isomeric SMILES

CCCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)SC

InChI

InChI=1S/C14H15BrN4S/c1-3-4-12-17-18-13-8-16-14(20-2)10-7-9(15)5-6-11(10)19(12)13/h5-7H,3-4,8H2,1-2H3