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

Systemtic Name: N-(3-ethanoylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-acetylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-acetylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-4-25-19(16-9-6-5-7-10-16)23-24-21(25)28-15(3)20(27)22-18-12-8-11-17(13-18)14(2)26/h5-13,15H,4H2,1-3H3,(H,22,27)