N-(2-methyl-2-morpholin-4-yl-butyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(2-methyl-2-morpholin-4-yl-butyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(2-methyl-2-morpholino-butyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[2-methyl-2-(4-morpholinyl)butyl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(2-methyl-2-morpholin-4-ylbutyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(2-methyl-2-morpholino-butyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CNC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C)N3CCOCC3

Isomeric SMILES

CCC(C)(CNC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C)N3CCOCC3

InChI

InChI=1S/C20H29N5O2S/c1-4-20(3,24-8-10-27-11-9-24)14-21-17(26)13-25-18(22-23-19(25)28)16-7-5-6-15(2)12-16/h5-7,12H,4,8-11,13-14H2,1-3H3,(H,21,26)(H,23,28)