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

Systemtic Name: 3-(4-methyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)propanamide Openeye Name: 3-(4-methyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)propanamide CAS Name: 3-[4-methyl-5-(phenethylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(4-methyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)propanamide Traditional Name: 3-[4-methyl-5-(phenethylthio)-1,2,4-triazol-3-yl]propionamide Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C14H18N4OS/c1-18-13(8-7-12(15)19)16-17-14(18)20-10-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,19)