2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C20H23N5OS/c1-3-24(4-2)16-12-10-15(11-13-16)19-22-23-20(27-14-18(21)26)25(19)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H2,21,26)