2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H26N4OS/c1-3-16-9-8-10-17(4-2)21(16)24-20(28)15-29-23-26-25-22(18-13-14-18)27(23)19-11-6-5-7-12-19/h5-12,18H,3-4,13-15H2,1-2H3,(H,24,28)