3-[phenyl-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]amino]propanamide

Systemtic Name: 3-[phenyl-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]amino]propanamide Openeye Name: 3-(N-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]anilino)propionamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C16H21N5O2S/c1-2-6-14-18-16(20-19-14)24-11-15(23)21(10-9-13(17)22)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H2,17,22)(H,18,19,20)