6-(2-azanyl-5-bromanyl-phenyl)-3-pentylsulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(2-azanyl-5-bromanyl-phenyl)-3-pentylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-(2-amino-5-bromo-phenyl)-3-pentylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-(2-amino-5-bromophenyl)-3-(pentylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-(2-amino-5-bromophenyl)-3-pentylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-(2-amino-5-bromo-phenyl)-3-(amylthio)-2H-1,2,4-triazin-5-one Formula: C14H17BrN4OS MolecularWeight: 369.27998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=NN1)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CCCCCSC1=NC(=O)C(=NN1)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C14H17BrN4OS/c1-2-3-4-7-21-14-17-13(20)12(18-19-14)10-8-9(15)5-6-11(10)16/h5-6,8H,2-4,7,16H2,1H3,(H,17,19,20)