2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-morpholinosulfonylphenyl)ethanone CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(4-morpholinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinosulfonylphenyl)ethanone Formula: C20H22N4O4S3 MolecularWeight: 478.60808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C20H22N4O4S3/c1-2-24-19(18-4-3-13-29-18)21-22-20(24)30-14-17(25)15-5-7-16(8-6-15)31(26,27)23-9-11-28-12-10-23/h3-8,13H,2,9-12,14H2,1H3