3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N'-pyrimidin-2-yl-propanehydrazide

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N'-pyrimidin-2-yl-propanehydrazide Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N'-pyrimidin-2-yl-propanehydrazide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N'-(2-pyrimidinyl)propanehydrazide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N'-pyrimidin-2-ylpropanehydrazide Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N'-(2-pyrimidyl)propionohydrazide Formula: C19H22ClN7OS MolecularWeight: 431.94228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NNC2=NC=CC=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NNC2=NC=CC=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN7OS/c1-2-3-12-26-17(14-5-7-15(20)8-6-14)25-27(19(26)29)13-9-16(28)23-24-18-21-10-4-11-22-18/h4-8,10-11H,2-3,9,12-13H2,1H3,(H,23,28)(H,21,22,24)