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

Systemtic Name: N-(4-methyl-2-morpholin-4-yl-pentyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(4-methyl-2-morpholino-pentyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[4-methyl-2-(4-morpholinyl)pentyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(4-methyl-2-morpholino-pentyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC(CC(C)C)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC(CC(C)C)N3CCOCC3

InChI

InChI=1S/C21H31N5O2S/c1-15(2)12-18(25-8-10-28-11-9-25)13-22-19(27)14-26-20(23-24-21(26)29)17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3,(H,22,27)(H,24,29)