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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C16H21N7OS MolecularWeight: 359.44924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H21N7OS/c1-16(2,3)17-14(24)10-25-15-20-19-13(22(15)4)9-23-12-8-6-5-7-11(12)18-21-23/h5-8H,9-10H2,1-4H3,(H,17,24)