3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[2-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCSCC(=O)N)CN2C=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCSCC(=O)N)CN2C=CC=N2

InChI

InChI=1S/C16H20N4O2S/c17-15(21)12-23-9-6-16(22)18-10-13-4-1-2-5-14(13)11-20-8-3-7-19-20/h1-5,7-8H,6,9-12H2,(H2,17,21)(H,18,22)