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

Systemtic Name: N-(oxolan-2-ylmethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(tetrahydrofuran-2-ylmethyl)triazole-4-carboxamide CAS Name: N-(2-oxolanylmethyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 1-phenyl-5-[(2-pyrimidylthio)methyl]-N-(tetrahydrofurfuryl)triazole-4-carboxamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C19H20N6O2S/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/h1-3,5-7,9-10,15H,4,8,11-13H2,(H,22,26)