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

Systemtic Name: N-(4-methyl-2-morpholin-4-yl-pentyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(4-methyl-2-morpholino-pentyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[4-methyl-2-(4-morpholinyl)pentyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(4-methyl-2-morpholino-pentyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC(CC(C)C)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC(CC(C)C)N3CCOCC3

InChI

InChI=1S/C22H33N5O2S/c1-16(2)13-19(26-9-11-29-12-10-26)15-23-20(28)7-8-27-21(24-25-22(27)30)18-6-4-5-17(3)14-18/h4-6,14,16,19H,7-13,15H2,1-3H3,(H,23,28)(H,25,30)