2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C17H23N5O2S/c1-11(23)18-13-8-6-7-12(9-13)15-20-21-16(22(15)5)25-10-14(24)19-17(2,3)4/h6-9H,10H2,1-5H3,(H,18,23)(H,19,24)