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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(2-naphthyl)ethanone Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N3OS/c1-16-23-24-22(25(16)14-17-7-3-2-4-8-17)27-15-21(26)20-12-11-18-9-5-6-10-19(18)13-20/h2-13H,14-15H2,1H3