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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21N7OS/c1-26-18(13-27-17-10-6-5-9-16(17)22-25-27)23-24-20(26)29-14-19(28)21-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,28)