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

Systemtic Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[5-[4-(diethylamino)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-4-25(5-2)17-13-11-16(12-14-17)20-23-24-21(28-15-19(27)22-3)26(20)18-9-7-6-8-10-18/h6-14H,4-5,15H2,1-3H3,(H,22,27)