3-[3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoylamino]benzamide

Systemtic Name: 3-[3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoylamino]benzamide Openeye Name: 3-[3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propanoylamino]benzamide CAS Name: 3-[[3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-oxopropyl]amino]benzamide IUPAC Name: 3-[3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoylamino]benzamide Traditional Name: 3-[3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propanoylamino]benzamide Formula: C22H24ClN5O2S MolecularWeight: 457.97626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NC2=CC=CC(=C2)C(=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NC2=CC=CC(=C2)C(=O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN5O2S/c1-2-3-12-27-21(15-7-9-17(23)10-8-15)26-28(22(27)31)13-11-19(29)25-18-6-4-5-16(14-18)20(24)30/h4-10,14H,2-3,11-13H2,1H3,(H2,24,30)(H,25,29)