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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C27H20ClN3O2S MolecularWeight: 485.9846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H20ClN3O2S/c28-22-12-14-23(15-13-22)31-26(17-33-24-8-2-1-3-9-24)29-30-27(31)34-18-25(32)21-11-10-19-6-4-5-7-20(19)16-21/h1-16H,17-18H2