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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15N7OS MolecularWeight: 365.4123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H15N7OS/c18-15(25)11-26-17-21-20-16(24(17)12-6-2-1-3-7-12)10-23-14-9-5-4-8-13(14)19-22-23/h1-9H,10-11H2,(H2,18,25)