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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-ylphenyl)propanamide Openeye Name: N-(2-morpholinophenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(4-morpholinyl)phenyl]propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-ylphenyl)propanamide Traditional Name: N-(2-morpholinophenyl)-3-[3-(m-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=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC=C3N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC=C3N4CCOCC4

InChI

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