5-(phenylmethylsulfanyl)-1,2,3,4-tetrazole-2-carboxamide

Systemtic Name: 5-(phenylmethylsulfanyl)-1,2,3,4-tetrazole-2-carboxamide Openeye Name: 5-benzylsulfanyltetrazole-2-carboxamide CAS Name: 5-(phenylmethylthio)-2-tetrazolecarboxamide IUPAC Name: 5-benzylsulfanyltetrazole-2-carboxamide Traditional Name: 5-(benzylthio)tetrazole-2-carboxamide Formula: C9H9N5OS MolecularWeight: 235.26566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(N=N2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(N=N2)C(=O)N

InChI

InChI=1S/C9H9N5OS/c10-8(15)14-12-9(11-13-14)16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,15)