2-methyl-N-[3-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]methyl]phenyl]propanamide

Systemtic Name: 2-methyl-N-[3-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]methyl]phenyl]propanamide Openeye Name: 2-methyl-N-[3-[[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]methyl]phenyl]propanamide CAS Name: 2-methyl-N-[3-[[[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]amino]methyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[3-[[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]methyl]phenyl]propanamide Traditional Name: 2-methyl-N-[3-[[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]methyl]phenyl]propionamide Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C19H21N5O2S2/c1-12(2)18(26)21-14-6-3-5-13(9-14)10-20-16(25)11-24-17(22-23-19(24)27)15-7-4-8-28-15/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H,21,26)(H,23,27)