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

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]-N-(4-methoxyphenyl)benzamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3CC4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3CC4=CC=CO4

InChI

InChI=1S/C22H20N4O3S/c1-28-19-10-8-18(9-11-19)24-21(27)17-6-4-16(5-7-17)14-30-22-25-23-15-26(22)13-20-3-2-12-29-20/h2-12,15H,13-14H2,1H3,(H,24,27)