2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H20N4OS/c28-21(19-10-5-2-6-11-19)17-29-23-26-25-22(20-12-7-14-24-16-20)27(23)15-13-18-8-3-1-4-9-18/h1-12,14,16H,13,15,17H2