1-(azetidin-1-yl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azetidin-1-yl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azetidin-1-yl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azetidinyl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azetidin-1-yl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azetidin-1-yl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC(=O)N4CCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC(=O)N4CCC4

InChI

InChI=1S/C22H30N4OS/c1-22(2,3)17-11-9-16(10-12-17)20-23-24-21(26(20)18-7-4-5-8-18)28-15-19(27)25-13-6-14-25/h9-12,18H,4-8,13-15H2,1-3H3