1-(2,4-dimethoxyphenyl)-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,4-dimethoxyphenyl)-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone CAS Name: 1-(2,4-dimethoxyphenyl)-2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4)OC

InChI

InChI=1S/C23H26N4O4S/c1-29-18-8-9-19(21(14-18)30-2)20(28)16-32-23-25-24-22(26-10-12-31-13-11-26)27(23)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3