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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H13N7OS MolecularWeight: 303.34292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H13N7OS/c1-18-11(15-16-12(18)21-7-10(13)20)6-19-9-5-3-2-4-8(9)14-17-19/h2-5H,6-7H2,1H3,(H2,13,20)