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

Systemtic Name: 4-[2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H19N5O3S/c23-20(29)15-8-10-17(11-9-15)24-19(28)14-31-22-26-25-21(16-5-2-1-3-6-16)27(22)13-18-7-4-12-30-18/h1-12H,13-14H2,(H2,23,29)(H,24,28)