5-(3-morpholin-4-ylsulfonylphenyl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3-morpholin-4-ylsulfonylphenyl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(3-morpholinosulfonylphenyl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[3-(4-morpholinylsulfonyl)phenyl]-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3-morpholin-4-ylsulfonylphenyl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(3-morpholinosulfonylphenyl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Formula: C20H21N4O3S2- MolecularWeight: 429.53574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=NN=C2[S-])C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=NN=C2[S-])C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H22N4O3S2/c1-15(16-6-3-2-4-7-16)24-19(21-22-20(24)28)17-8-5-9-18(14-17)29(25,26)23-10-12-27-13-11-23/h2-9,14-15H,10-13H2,1H3,(H,22,28)/p-1/t15-/m1/s1