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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H26N4O2S/c1-16(2)15-26-21(18-11-7-8-12-19(18)28-3)24-25-22(26)29-14-13-20(27)23-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,23,27)