2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 1-(2-naphthyl)-2-[[4-(p-tolyl)-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 1-(2-naphthyl)-2-[[4-(p-tolyl)-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H21N3OS2 MolecularWeight: 455.59444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CS5

InChI

InChI=1S/C26H21N3OS2/c1-18-8-12-22(13-9-18)29-25(16-23-7-4-14-31-23)27-28-26(29)32-17-24(30)21-11-10-19-5-2-3-6-20(19)15-21/h2-15H,16-17H2,1H3