5-oxidanylidene-1-phenyl-4-[3-(2-sulfosulfanylethylamino)propyl]-1,2,3,4-tetrazole

Systemtic Name: 5-oxidanylidene-1-phenyl-4-[3-(2-sulfosulfanylethylamino)propyl]-1,2,3,4-tetrazole Openeye Name: 5-oxo-1-phenyl-4-[3-(2-sulfosulfanylethylamino)propyl]tetrazole CAS Name: 5-oxo-1-phenyl-4-[3-[2-(sulfothio)ethylamino]propyl]tetrazole IUPAC Name: 5-oxo-1-phenyl-4-[3-(2-sulfosulfanylethylamino)propyl]tetrazole Traditional Name: 5-keto-1-phenyl-4-[3-[2-(sulfothio)ethylamino]propyl]tetrazole Formula: C12H17N5O4S2 MolecularWeight: 359.42448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N(N=N2)CCCNCCSS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N(N=N2)CCCNCCSS(=O)(=O)O

InChI

InChI=1S/C12H17N5O4S2/c18-12-16(9-4-7-13-8-10-22-23(19,20)21)14-15-17(12)11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2,(H,19,20,21)