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

Systemtic Name: 1-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H26N4O4S2/c1-15(25)14-29-20-22-21-19(24(20)17-6-2-3-7-17)16-5-4-8-18(13-16)30(26,27)23-9-11-28-12-10-23/h4-5,8,13,17H,2-3,6-7,9-12,14H2,1H3