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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: N-(4-morpholinophenyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: N-(4-morpholinophenyl)-2-[3-(m-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=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

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

InChI

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