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

Systemtic Name: 1-(azepan-1-yl)-2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H34N4OS/c32-26(30-17-8-1-2-9-18-30)20-33-27-29-28-25(31(27)23-14-4-3-5-15-23)19-22-13-10-12-21-11-6-7-16-24(21)22/h6-7,10-13,16,23H,1-5,8-9,14-15,17-20H2