4-[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H25N5O2S/c1-4-12-27-20(17-7-5-6-14(2)13-17)25-26-22(27)30-15(3)21(29)24-18-10-8-16(9-11-18)19(23)28/h5-11,13,15H,4,12H2,1-3H3,(H2,23,28)(H,24,29)