N-[(2-phenylmethoxypyridin-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(2-phenylmethoxypyridin-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(2-benzyloxy-4-pyridyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(2-phenylmethoxypyridin-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(2-benzoxy-4-pyridyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC=CC(=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=CC(=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C23H21N5O2S/c29-22(20-8-6-18(7-9-20)15-31-23-26-16-27-28-23)25-13-19-10-11-24-21(12-19)30-14-17-4-2-1-3-5-17/h1-12,16H,13-15H2,(H,25,29)(H,26,27,28)