2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CC=C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-3-14-25(18-8-6-5-7-9-18)19(26)15-27-21-22-20(23-24-21)17-12-10-16(4-2)11-13-17/h3,5-13H,1,4,14-15H2,2H3,(H,22,23,24)