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

Systemtic Name: N-(4-acetamidophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H23N5O2S/c1-4-15-5-7-16(8-6-15)19-24-21(26-25-19)29-13(2)20(28)23-18-11-9-17(10-12-18)22-14(3)27/h5-13H,4H2,1-3H3,(H,22,27)(H,23,28)(H,24,25,26)