2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-morpholinophenyl)acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

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