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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)acetamide Formula: C17H17N7OS2 MolecularWeight: 399.49318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H17N7OS2/c1-23-15(10-24-14-7-3-2-6-13(14)19-22-24)20-21-17(23)27-11-16(25)18-9-12-5-4-8-26-12/h2-8H,9-11H2,1H3,(H,18,25)