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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)ethanamide Openeye Name: N-[2-morpholino-2-(2-thienyl)ethyl]-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-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide Traditional Name: N-[2-morpholino-2-(2-thienyl)ethyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC(C3=CC=CS3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC(C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C21H25N5O2S2/c1-15-4-6-16(7-5-15)20-23-24-21(29)26(20)14-19(27)22-13-17(18-3-2-12-30-18)25-8-10-28-11-9-25/h2-7,12,17H,8-11,13-14H2,1H3,(H,22,27)(H,24,29)