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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-mesylphenyl)ethanone Formula: C11H12N4O3S2 MolecularWeight: 312.36798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O3S2/c1-20(17,18)8-4-2-7(3-5-8)9(16)6-19-11-13-10(12)14-15-11/h2-5H,6H2,1H3,(H3,12,13,14,15)