2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H16N4OS2/c1-2-7-15(8-3-1)20-23-24-21(25(20)13-16-9-6-12-26-16)27-14-19-22-17-10-4-5-11-18(17)28-19/h1-12H,13-14H2