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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[4-isobutyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[5-(2-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[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=C1SC(C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H26N4O2S/c1-15(2)14-26-20(18-12-8-9-13-19(18)28-4)24-25-22(26)29-16(3)21(27)23-17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,23,27)