1-(5-iodanylfuran-2-yl)-N-[3-(phenylmethylsulfanyl)-5-pyridin-3-yl-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(5-iodanylfuran-2-yl)-N-[3-(phenylmethylsulfanyl)-5-pyridin-3-yl-1,2,4-triazol-4-yl]methanimine Openeye Name: N-[3-benzylsulfanyl-5-(3-pyridyl)-1,2,4-triazol-4-yl]-1-(5-iodo-2-furyl)methanimine CAS Name: 1-(5-iodo-2-furanyl)-N-[3-(phenylmethylthio)-5-(3-pyridinyl)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)-1-(5-iodofuran-2-yl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-(3-pyridyl)-1,2,4-triazol-4-yl]-[(5-iodo-2-furyl)methylene]amine Formula: C19H14IN5OS MolecularWeight: 487.31683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2N=CC3=CC=C(O3)I)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2/N=C/C3=CC=C(O3)I)C4=CN=CC=C4

InChI

InChI=1S/C19H14IN5OS/c20-17-9-8-16(26-17)12-22-25-18(15-7-4-10-21-11-15)23-24-19(25)27-13-14-5-2-1-3-6-14/h1-12H,13H2/b22-12+