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

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-ethanamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-ethylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylacetamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-ethyl-acetamide Formula: C20H21BrN4OS2 MolecularWeight: 477.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H21BrN4OS2/c1-2-24(12-16-10-11-17(21)28-16)18(26)13-27-20-23-22-19(14-8-9-14)25(20)15-6-4-3-5-7-15/h3-7,10-11,14H,2,8-9,12-13H2,1H3