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

Systemtic Name: 4-azanyl-3-[[(2E)-2-hydroxyimino-2-(4-methylphenyl)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-(p-tolyl)ethanone oxime CAS Name: 2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-(4-methylphenyl)ethanone oxime IUPAC Name: 4-amino-3-[[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethyl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 2-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-(p-tolyl)ethanone oxime Formula: C12H15N5O3S2 MolecularWeight: 341.4092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NO)CS(=O)(=O)CC2=NNC(=S)N2N

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N\O)/CS(=O)(=O)CC2=NNC(=S)N2N

InChI

InChI=1S/C12H15N5O3S2/c1-8-2-4-9(5-3-8)10(16-18)6-22(19,20)7-11-14-15-12(21)17(11)13/h2-5,18H,6-7,13H2,1H3,(H,15,21)/b16-10-