N-[2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]ethanamide

Systemtic Name: N-[2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]ethanamide Openeye Name: N-[2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]acetamide CAS Name: N-[2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethyl]acetamide IUPAC Name: N-[2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide Traditional Name: N-[2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)NCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5OS/c1-14(24)20-11-12-25-18-22-21-17(16-7-9-19-10-8-16)23(18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,24)