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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenylpropanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylpropanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenyl-propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C21H23N5O2S/c1-4-25(18-10-6-5-7-11-18)20(28)15(2)29-21-24-22-14-26(21)19-12-8-9-17(13-19)23-16(3)27/h5-15H,4H2,1-3H3,(H,23,27)