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

Systemtic Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclopropanecarboxamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclopropanecarboxamide CAS Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]cyclopropanecarboxamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclopropanecarboxamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]cyclopropanecarboxamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

C1CC1C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C20H21N5OS/c26-19(17-6-7-17)22-12-18-23-24-20(27-14-16-8-10-21-11-9-16)25(18)13-15-4-2-1-3-5-15/h1-5,8-11,17H,6-7,12-14H2,(H,22,26)