4-[2-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[2-(4-mesyl-2-nitro-anilino)ethylamino]ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C17H17N6O5S3- MolecularWeight: 481.54908

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O5S3/c1-31(27,28)11-4-5-12(13(9-11)23(25)26)18-6-7-19-15(24)10-22-16(20-21-17(22)29)14-3-2-8-30-14/h2-5,8-9,18H,6-7,10H2,1H3,(H,19,24)(H,21,29)/p-1