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

Systemtic Name: 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 3-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCC(=O)NC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCC(=O)NC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H23N5O2S/c1-15(28)23-18-8-5-9-19(14-18)27-21(16-10-11-16)25-26-22(27)30-13-12-20(29)24-17-6-3-2-4-7-17/h2-9,14,16H,10-13H2,1H3,(H,23,28)(H,24,29)