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

Systemtic Name: 4-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C27H22N4O2S/c32-26(28-23-10-5-2-6-11-23)22-15-13-21(14-16-22)19-34-27-30-29-25(24-12-7-17-33-24)31(27)18-20-8-3-1-4-9-20/h1-17H,18-19H2,(H,28,32)