3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)propanamide

Systemtic Name: 3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)propanamide Openeye Name: 3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)propanamide CAS Name: 3-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)propanamide Traditional Name: 3-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]propionamide Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C14H16N4O2S/c1-18-13(8-7-12(15)20)16-17-14(18)21-9-11(19)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,15,20)