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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C13H15N7OS MolecularWeight: 317.3695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7OS/c1-14-12(21)8-22-13-17-16-11(19(13)2)7-20-10-6-4-3-5-9(10)15-18-20/h3-6H,7-8H2,1-2H3,(H,14,21)