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

Systemtic Name: 3-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]propanamide Openeye Name: 3-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]propanamide CAS Name: 3-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]ethylamino]propanamide IUPAC Name: 3-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]propanamide Traditional Name: 3-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]ethylamino]propionamide Formula: C22H33N5OS MolecularWeight: 415.59532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCCNCCC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCCNCCC(=O)N

InChI

InChI=1S/C22H33N5OS/c1-22(2,3)17-10-8-16(9-11-17)20-25-26-21(27(20)18-6-4-5-7-18)29-15-14-24-13-12-19(23)28/h8-11,18,24H,4-7,12-15H2,1-3H3,(H2,23,28)