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1-[5-(methylamino)-3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone

1-[5-(methylamino)-3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone

Systemtic Name:1-[5-(methylamino)-3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone
Openeye Name:1-[3-benzylsulfanyl-5-(methylamino)-1,2,4-triazol-1-yl]ethanone
CAS Name:1-[5-(methylamino)-3-(phenylmethylthio)-1,2,4-triazol-1-yl]ethanone
IUPAC Name:1-[3-benzylsulfanyl-5-(methylamino)-1,2,4-triazol-1-yl]ethanone
Traditional Name:1-[3-(benzylthio)-5-(methylamino)-1,2,4-triazol-1-yl]ethanone
Formula: C12H14N4OS
MolecularWeight: 262.33076
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)SCC2=CC=CC=C2)NC


Isomeric SMILES

CC(=O)N1C(=NC(=N1)SCC2=CC=CC=C2)NC


InChI

InChI=1S/C12H14N4OS/c1-9(17)16-11(13-2)14-12(15-16)18-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14,15)


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