1-(1-adamantyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C21H30N4OS/c26-18(21-10-14-7-15(11-21)9-16(8-14)12-21)13-27-20-23-22-19(24-5-1-2-6-24)25(20)17-3-4-17/h14-17H,1-13H2