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

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

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H18N4O2S/c1-25-19(18-8-5-13-27-18)23-24-21(25)28-14-15-9-11-16(12-10-15)20(26)22-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,22,26)