N-(furan-2-ylmethyl)-4-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: N-(2-furanylmethyl)-4-[[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-[[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4)C5=CC=NC=C5

InChI

InChI=1S/C27H23N5O2S/c33-26(29-17-24-7-4-16-34-24)23-10-8-21(9-11-23)19-35-27-31-30-25(22-12-14-28-15-13-22)32(27)18-20-5-2-1-3-6-20/h1-16H,17-19H2,(H,29,33)