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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SC(C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-13(19(27)22-16-8-5-4-6-9-16)28-20-24-23-14(2)25(20)18-11-7-10-17(12-18)21-15(3)26/h4-13H,1-3H3,(H,21,26)(H,22,27)