4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H25N5O2S/c1-2-27-21(26-12-14-29-15-13-26)24-25-22(27)30-16-17-8-10-18(11-9-17)20(28)23-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H,23,28)