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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-4-26-20(14-17-8-6-5-7-9-17)24-25-22(26)29-16(3)21(28)23-19-12-10-18(11-13-19)15(2)27/h5-13,16H,4,14H2,1-3H3,(H,23,28)