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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H30N4OS/c1-27(2,3)19-14-12-18(13-15-19)25-29-30-26(31(25)20-8-4-5-9-20)33-17-24(32)22-16-28-23-11-7-6-10-21(22)23/h6-7,10-16,20,28H,4-5,8-9,17H2,1-3H3