N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]ethanamide

Systemtic Name: N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]ethanamide Openeye Name: N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide CAS Name: N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]acetamide IUPAC Name: N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide Traditional Name: N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]acetamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NCCSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H14N4OS/c1-9(17)13-7-8-18-12-14-11(15-16-12)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,17)(H,14,15,16)