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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-tert-butylphenoxy)ethyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-tert-butylphenoxy)ethyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-tert-butylphenoxy)ethyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-tert-butylphenoxy)ethyl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-tert-butylphenoxy)ethyl]acetamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C19H27N5O2S/c1-19(2,3)14-6-8-15(9-7-14)26-11-10-21-16(25)12-27-18-23-22-17(24(18)20)13-4-5-13/h6-9,13H,4-5,10-12,20H2,1-3H3,(H,21,25)