4-[5-(2-imidazol-1-ylethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzamide

Systemtic Name: 4-[5-(2-imidazol-1-ylethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzamide Openeye Name: 4-[5-(2-imidazol-1-ylethylsulfanyl)tetrazol-1-yl]benzamide CAS Name: 4-[5-[2-(1-imidazolyl)ethylthio]-1-tetrazolyl]benzamide IUPAC Name: 4-[5-(2-imidazol-1-ylethylsulfanyl)tetrazol-1-yl]benzamide Traditional Name: 4-[5-(2-imidazol-1-ylethylthio)tetrazol-1-yl]benzamide Formula: C13H13N7OS MolecularWeight: 315.35362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCCN3C=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCCN3C=CN=C3

InChI

InChI=1S/C13H13N7OS/c14-12(21)10-1-3-11(4-2-10)20-13(16-17-18-20)22-8-7-19-6-5-15-9-19/h1-6,9H,7-8H2,(H2,14,21)