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

Systemtic Name: 4-[2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[5-(3-chlorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H18ClN5O3S MolecularWeight: 467.92802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O3S/c23-16-4-1-3-15(11-16)21-26-27-22(28(21)12-18-5-2-10-31-18)32-13-19(29)25-17-8-6-14(7-9-17)20(24)30/h1-11H,12-13H2,(H2,24,30)(H,25,29)