2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-ethylphenyl)-1-propanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-ethylphenyl)propan-1-one Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)N

InChI

InChI=1S/C13H16N4OS/c1-3-9-4-6-10(7-5-9)11(18)8(2)19-13-15-12(14)16-17-13/h4-8H,3H2,1-2H3,(H3,14,15,16,17)