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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)acetamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C17H22N6O3S/c1-11(24)19-12-6-5-7-13(8-12)23-10-18-22-16(23)27-9-14(25)20-15(26)21-17(2,3)4/h5-8,10H,9H2,1-4H3,(H,19,24)(H2,20,21,25,26)