2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methylphenoxy)phenyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methylphenoxy)phenyl]ethanamide Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-methylphenoxy)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-methylphenoxy)phenyl]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C(C)(C)C

InChI

InChI=1S/C21H25N5O2S/c1-14-5-9-16(10-6-14)28-17-11-7-15(8-12-17)23-18(27)13-29-20-25-24-19(26(20)22)21(2,3)4/h5-12H,13,22H2,1-4H3,(H,23,27)