6-(2-aminophenyl)-3-heptylsulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(2-aminophenyl)-3-heptylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-(2-aminophenyl)-3-heptylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-(2-aminophenyl)-3-(heptylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-(2-aminophenyl)-3-heptylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-(2-aminophenyl)-3-(heptylthio)-2H-1,2,4-triazin-5-one Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N

Isomeric SMILES

CCCCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N

InChI

InChI=1S/C16H22N4OS/c1-2-3-4-5-8-11-22-16-18-15(21)14(19-20-16)12-9-6-7-10-13(12)17/h6-7,9-10H,2-5,8,11,17H2,1H3,(H,18,20,21)