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

Systemtic Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pent-4-enamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pent-4-enamide CAS Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-pentenamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pent-4-enamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]pent-4-enamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)NCC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=NC=C3

Isomeric SMILES

C=CCCC(=O)NCC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=NC=C3

InChI

InChI=1S/C21H23N5OS/c1-2-3-9-20(27)23-14-19-24-25-21(28-16-18-10-12-22-13-11-18)26(19)15-17-7-5-4-6-8-17/h2,4-8,10-13H,1,3,9,14-16H2,(H,23,27)