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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(2-naphthyl)ethanone Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS/c1-2-26-22(14-17-8-4-3-5-9-17)24-25-23(26)28-16-21(27)20-13-12-18-10-6-7-11-19(18)15-20/h3-13,15H,2,14,16H2,1H3