2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C31H29N3O2S MolecularWeight: 507.64586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H29N3O2S/c1-31(2,3)25-13-11-22(12-14-25)29-32-33-30(34(29)26-15-17-27(36-4)18-16-26)37-20-28(35)24-10-9-21-7-5-6-8-23(21)19-24/h5-19H,20H2,1-4H3