4-azanyl-3-[[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-azanyl-3-[[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[[(4S)-4-phenyl-2-pyrazolin-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Formula: C12H14N6O2S2 MolecularWeight: 338.40856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1)S(=O)(=O)CC2=NNC(=S)N2N)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H](C(=NN1)S(=O)(=O)CC2=NNC(=S)N2N)C3=CC=CC=C3

InChI

InChI=1S/C12H14N6O2S2/c13-18-10(15-17-12(18)21)7-22(19,20)11-9(6-14-16-11)8-4-2-1-3-5-8/h1-5,9,14H,6-7,13H2,(H,17,21)/t9-/m1/s1