N-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5O2S/c1-27(2,3)21-11-13-23(14-12-21)34-17-16-29-24(33)19-35-26-31-30-25(20-8-7-15-28-18-20)32(26)22-9-5-4-6-10-22/h4-15,18H,16-17,19H2,1-3H3,(H,29,33)