1-(1-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

InChI

InChI=1S/C21H27N3OS2/c1-3-24-19(17-5-4-6-26-17)22-23-20(24)27-13(2)18(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,13-16H,3,7-12H2,1-2H3