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

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3CC4=CC=CO4

InChI

InChI=1S/C21H18N4O2S/c26-20(23-18-5-2-1-3-6-18)17-10-8-16(9-11-17)14-28-21-24-22-15-25(21)13-19-7-4-12-27-19/h1-12,15H,13-14H2,(H,23,26)