N-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]ethanamide

Systemtic Name: N-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]ethanamide Openeye Name: N-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]acetamide CAS Name: N-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]ethyl]acetamide IUPAC Name: N-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]acetamide Traditional Name: N-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]ethyl]acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NN=C(N1C2CCCC2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)NCCSC1=NN=C(N1C2CCCC2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H30N4OS/c1-15(26)22-13-14-27-20-24-23-19(25(20)18-7-5-6-8-18)16-9-11-17(12-10-16)21(2,3)4/h9-12,18H,5-8,13-14H2,1-4H3,(H,22,26)