4-chloranyl-N-[[4-methyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[4-methyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[4-methyl-5-(2-morpholino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-chloro-N-[[4-methyl-5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-[(2-keto-2-morpholino-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C17H20ClN5O3S MolecularWeight: 409.8904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCOCC2)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCOCC2)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5O3S/c1-22-14(10-19-16(25)12-2-4-13(18)5-3-12)20-21-17(22)27-11-15(24)23-6-8-26-9-7-23/h2-5H,6-11H2,1H3,(H,19,25)