2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine

Systemtic Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine CAS Name: 2-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanamine IUPAC Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine Traditional Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]ethylamine Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCCN)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCCN)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H27N5O3S2/c20-8-13-28-19-22-21-18(24(19)16-5-1-2-6-16)15-4-3-7-17(14-15)29(25,26)23-9-11-27-12-10-23/h3-4,7,14,16H,1-2,5-6,8-13,20H2