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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpropanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-propionamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SC1=NN=CN1C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CC(C)NC(=O)C(C)SC1=NN=CN1C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C16H21N5O2S/c1-10(2)18-15(23)11(3)24-16-20-17-9-21(16)14-7-5-6-13(8-14)19-12(4)22/h5-11H,1-4H3,(H,18,23)(H,19,22)