4-methoxy-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-methoxy-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: 4-methoxy-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C24H23N5O2S/c1-31-21-9-7-20(8-10-21)23(30)26-15-22-27-28-24(32-17-19-11-13-25-14-12-19)29(22)16-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,26,30)