N-tert-butyl-2-[[4-[(phenylmethyl)amino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-[(phenylmethyl)amino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(benzylamino)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[4-[(phenylmethyl)amino]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(benzylamino)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-(benzylamino)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=CN1NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=CN1NCC2=CC=CC=C2

InChI

InChI=1S/C15H21N5OS/c1-15(2,3)18-13(21)10-22-14-19-16-11-20(14)17-9-12-7-5-4-6-8-12/h4-8,11,17H,9-10H2,1-3H3,(H,18,21)