N-[[5-(oxolan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide

Systemtic Name: N-[[5-(oxolan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Openeye Name: N-[[4-benzyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide CAS Name: N-[[5-(2-oxolanylmethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-2-pyridinecarboxamide IUPAC Name: N-[[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine-2-carboxamide Traditional Name: N-[[4-benzyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]methyl]picolinamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC=CC=N4

Isomeric SMILES

C1CC(OC1)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O2S/c27-20(18-10-4-5-11-22-18)23-13-19-24-25-21(29-15-17-9-6-12-28-17)26(19)14-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,27)