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

Systemtic Name: 4-[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H23N5O2S/c1-3-11-26-20(16-6-4-5-14(2)12-16)24-25-21(26)29-13-18(27)23-17-9-7-15(8-10-17)19(22)28/h4-10,12H,3,11,13H2,1-2H3,(H2,22,28)(H,23,27)