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

Systemtic Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C23H29N5OS/c1-5-27(6-2)20-15-13-18(14-16-20)21-25-26-23(28(21)7-3)30-17(4)22(29)24-19-11-9-8-10-12-19/h8-17H,5-7H2,1-4H3,(H,24,29)