2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)acetamide Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C16H22N6O2S/c1-10-5-7-11(8-6-10)13-20-21-15(22(13)17)25-9-12(23)18-14(24)19-16(2,3)4/h5-8H,9,17H2,1-4H3,(H2,18,19,23,24)