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

Systemtic Name: 3-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 3-[[5-(3,4-dimethoxyphenyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 3-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 3-[[5-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 3-[[5-(3,4-dimethoxyphenyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N4O3S/c1-15(2)26-21(16-10-11-18(28-3)19(14-16)29-4)24-25-22(26)30-13-12-20(27)23-17-8-6-5-7-9-17/h5-11,14-15H,12-13H2,1-4H3,(H,23,27)