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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: N-(4-morpholinophenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: N-(4-morpholinophenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H25N5O2S/c1-16-2-4-17(5-3-16)21-24-25-22(30)27(21)11-10-20(28)23-18-6-8-19(9-7-18)26-12-14-29-15-13-26/h2-9H,10-15H2,1H3,(H,23,28)(H,25,30)