2-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N-(3-methoxyphenyl)acetamide CAS Name: 2-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-3-25-19(13-20(27)22-16-10-7-11-17(12-16)28-2)23-24-21(25)29-14-18(26)15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3,(H,22,27)