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

Systemtic Name: 2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-1-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-naphthyl)ethanone CAS Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-naphthalenyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-1-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]-1-(1-naphthyl)ethanone Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H30N4O2S/c1-34-23-14-8-11-21(17-23)29-18-27-30-31-28(32(27)22-12-3-2-4-13-22)35-19-26(33)25-16-7-10-20-9-5-6-15-24(20)25/h5-11,14-17,22,29H,2-4,12-13,18-19H2,1H3