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

Systemtic Name: N-(4-acetamidophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrN5O2S/c1-4-27-19(17-7-5-6-8-18(17)22)25-26-21(27)30-13(2)20(29)24-16-11-9-15(10-12-16)23-14(3)28/h5-13H,4H2,1-3H3,(H,23,28)(H,24,29)