4-[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C18H24N5O4S2- MolecularWeight: 438.54426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)[S-]

InChI

InChI=1S/C18H25N5O4S2/c1-3-4-16-20-21-18(28)23(16)12-17(24)19-14-6-5-13(2)15(11-14)29(25,26)22-7-9-27-10-8-22/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,24)(H,21,28)/p-1