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

Systemtic Name: 4-[5-(cyanomethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzamide Openeye Name: 4-[5-(cyanomethylsulfanyl)tetrazol-1-yl]benzamide CAS Name: 4-[5-(cyanomethylthio)-1-tetrazolyl]benzamide IUPAC Name: 4-[5-(cyanomethylsulfanyl)tetrazol-1-yl]benzamide Traditional Name: 4-[5-(cyanomethylthio)tetrazol-1-yl]benzamide Formula: C10H8N6OS MolecularWeight: 260.27512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCC#N

InChI

InChI=1S/C10H8N6OS/c11-5-6-18-10-13-14-15-16(10)8-3-1-7(2-4-8)9(12)17/h1-4H,6H2,(H2,12,17)