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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-isopropylphenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-p-cumenyl-ethanone Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H16N4OS/c1-8(2)9-3-5-10(6-4-9)11(18)7-19-13-15-12(14)16-17-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17)