N-(furan-2-ylmethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-furylmethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(2-furanylmethyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(2-furfuryl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C19H16N6O2S MolecularWeight: 392.43434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CO3)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CO3)CSC4=NC=CC=N4

InChI

InChI=1S/C19H16N6O2S/c26-18(22-12-15-8-4-11-27-15)17-16(13-28-19-20-9-5-10-21-19)25(24-23-17)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,26)