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

Systemtic Name: 4-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[5-(2-furanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=CO4

InChI

InChI=1S/C21H18N4O3S/c1-27-17-10-8-16(9-11-17)25-20(18-3-2-12-28-18)23-24-21(25)29-13-14-4-6-15(7-5-14)19(22)26/h2-12H,13H2,1H3,(H2,22,26)