1-(3-azanyl-5-tridecylsulfanyl-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-(3-azanyl-5-tridecylsulfanyl-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-(3-amino-5-tridecylsulfanyl-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[3-amino-5-(tridecylthio)-1,2,4-triazol-4-yl]ethanone IUPAC Name: 1-(3-amino-5-tridecylsulfanyl-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[3-amino-5-(tridecylthio)-1,2,4-triazol-4-yl]ethanone Formula: C17H32N4OS MolecularWeight: 340.52718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=NN=C(N1C(=O)C)N

Isomeric SMILES

CCCCCCCCCCCCCSC1=NN=C(N1C(=O)C)N

InChI

InChI=1S/C17H32N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-17-20-19-16(18)21(17)15(2)22/h3-14H2,1-2H3,(H2,18,19)