1-adamantyl-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone

Systemtic Name: 1-adamantyl-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Openeye Name: 1-adamantyl-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone IUPAC Name: 1-adamantyl-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Traditional Name: 1-adamantyl-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3O2S/c1-2-3-6-26-20-22-18(17-5-4-7-27-17)24(23-20)19(25)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-5,7,14-16H,2-3,6,8-13H2,1H3