N-(2-phenylsulfanylethyl)-2-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-(2-phenylsulfanylethyl)-2-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-(2-phenylsulfanylethyl)-2-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[2-(phenylthio)ethyl]-2-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-(2-phenylsulfanylethyl)-2-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[2-(phenylthio)ethyl]-2-(1,2,4-triazol-1-yl)propionamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCSC1=CC=CC=C1)N2C=NC=N2

Isomeric SMILES

CC(C(=O)NCCSC1=CC=CC=C1)N2C=NC=N2

InChI

InChI=1S/C13H16N4OS/c1-11(17-10-14-9-16-17)13(18)15-7-8-19-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,15,18)