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

Systemtic Name: 1-naphthalen-2-yl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 1-(2-naphthalenyl)-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C26H20N4OS MolecularWeight: 436.5282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

InChI

InChI=1S/C26H20N4OS/c31-24(22-13-12-20-9-4-5-10-21(20)15-22)18-32-26-29-28-25(23-11-6-14-27-16-23)30(26)17-19-7-2-1-3-8-19/h1-16H,17-18H2