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

Systemtic Name: 4-[2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(2-furanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-(2-furfuryl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C21H18N6O3S/c22-19(29)14-3-5-16(6-4-14)24-18(28)13-31-21-26-25-20(15-7-9-23-10-8-15)27(21)12-17-2-1-11-30-17/h1-11H,12-13H2,(H2,22,29)(H,24,28)