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

Systemtic Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C31H37N3OS MolecularWeight: 499.70998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC7=CC=CC=C76

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C31H37N3OS/c35-28(31-17-21-13-22(18-31)15-23(14-21)19-31)20-36-30-33-32-29(34(30)26-10-2-1-3-11-26)16-25-9-6-8-24-7-4-5-12-27(24)25/h4-9,12,21-23,26H,1-3,10-11,13-20H2