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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: N-(4-morpholinophenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: N-(4-morpholinophenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N5O2S/c1-15-2-4-16(5-3-15)20-23-24-21(29)26(20)14-19(27)22-17-6-8-18(9-7-17)25-10-12-28-13-11-25/h2-9H,10-14H2,1H3,(H,22,27)(H,24,29)