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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)ethanone Formula: C27H33N3OS MolecularWeight: 447.63542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H33N3OS/c1-5-19-10-12-20(13-11-19)24(31)18-32-26-29-28-25(30(26)23-8-6-7-9-23)21-14-16-22(17-15-21)27(2,3)4/h10-17,23H,5-9,18H2,1-4H3