4-[(2S)-butan-2-yl]-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(2S)-butan-2-yl]-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(1S)-1-methylpropyl]-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(2S)-butan-2-yl]-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(2S)-butan-2-yl]-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[(1S)-1-methylpropyl]-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thiolate Formula: C16H21N4O3S2- MolecularWeight: 381.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1[S-])C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[C@H](C)N1C(=NN=C1[S-])C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H22N4O3S2/c1-3-12(2)20-15(17-18-16(20)24)13-5-4-6-14(11-13)25(21,22)19-7-9-23-10-8-19/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,24)/p-1/t12-/m0/s1