4-[2-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(2-methylallyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-(2-methylallyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=NC=C3

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C20H20N6O2S/c1-13(2)11-26-19(15-7-9-22-10-8-15)24-25-20(26)29-12-17(27)23-16-5-3-14(4-6-16)18(21)28/h3-10H,1,11-12H2,2H3,(H2,21,28)(H,23,27)