4-azanyl-3-[[(2E)-2-hydroxyimino-2-phenyl-ethyl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-azanyl-3-[[(2E)-2-hydroxyimino-2-phenyl-ethyl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 2-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenyl-ethanone oxime CAS Name: 2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenylethanone oxime IUPAC Name: 4-amino-3-[[(2E)-2-hydroxyimino-2-phenylethyl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 2-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenyl-ethanone oxime Formula: C11H13N5O3S2 MolecularWeight: 327.38262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NO)CS(=O)(=O)CC2=NNC(=S)N2N

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\O)/CS(=O)(=O)CC2=NNC(=S)N2N

InChI

InChI=1S/C11H13N5O3S2/c12-16-10(13-14-11(16)20)7-21(18,19)6-9(15-17)8-4-2-1-3-5-8/h1-5,17H,6-7,12H2,(H,14,20)/b15-9-