1-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4OS/c1-13(22)12-23-17-20-19-16(15-7-9-18-10-8-15)21(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3