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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C16H14N6OS2 MolecularWeight: 370.45196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CS2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CS2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H14N6OS2/c1-21-15(9-22-12-6-3-2-5-11(12)17-20-22)18-19-16(21)25-10-13(23)14-7-4-8-24-14/h2-8H,9-10H2,1H3