S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-methyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-methyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-methyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-methylamino]ethyl] ester IUPAC Name: S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-methylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-methyl-amino]ethyl] ester Formula: C9H15N5O2S MolecularWeight: 257.3127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NN1)N(C)CCSC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=NN1)N(C)CCSC(=O)C

InChI

InChI=1S/C9H15N5O2S/c1-6(15)10-8-11-9(13-12-8)14(3)4-5-17-7(2)16/h4-5H2,1-3H3,(H2,10,11,12,13,15)