N-tert-butyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-tert-butyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-15(20(27)23-22(2,3)4)29-21-25-24-19(16-11-13-18(28-5)14-12-16)26(21)17-9-7-6-8-10-17/h6-15H,1-5H3,(H,23,27)