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4-azanyl-3-octadecylsulfanyl-6-phenyl-1,2,4-triazin-5-one

4-azanyl-3-octadecylsulfanyl-6-phenyl-1,2,4-triazin-5-one

Systemtic Name:4-azanyl-3-octadecylsulfanyl-6-phenyl-1,2,4-triazin-5-one
Openeye Name:4-amino-3-octadecylsulfanyl-6-phenyl-1,2,4-triazin-5-one
CAS Name:4-amino-3-(octadecylthio)-6-phenyl-1,2,4-triazin-5-one
IUPAC Name:4-amino-3-octadecylsulfanyl-6-phenyl-1,2,4-triazin-5-one
Traditional Name:4-amino-6-phenyl-3-(stearylthio)-1,2,4-triazin-5-one
Formula: C27H44N4OS
MolecularWeight: 472.72946
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(C(=O)N1N)C2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(C(=O)N1N)C2=CC=CC=C2


InChI

InChI=1S/C27H44N4OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33-27-30-29-25(26(32)31(27)28)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23,28H2,1H3


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