N-(tert-butylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C20H28N6O2S/c1-20(2,3)22-18(28)21-17(27)14-29-19-24-23-16(13-25-11-7-8-12-25)26(19)15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3,(H2,21,22,27,28)