2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[2-(pyrazol-1-ylmethyl)benzyl]acetamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=CC=C2CN3C=CC=N3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=CC=C2CN3C=CC=N3

InChI

InChI=1S/C18H22N6OS/c1-2-6-16-21-22-18(26)24(16)13-17(25)19-11-14-7-3-4-8-15(14)12-23-10-5-9-20-23/h3-5,7-10H,2,6,11-13H2,1H3,(H,19,25)(H,22,26)