4-(2-azanyl-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2-azanyl-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonic acid Openeye Name: 4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonic acid CAS Name: 4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonic acid Traditional Name: 4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonic acid Formula: C12H16N3O3S2+ MolecularWeight: 314.40374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=N[N+](=C(S2)N)CCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=N[N+](=C(S2)N)CCCCS(=O)(=O)O

InChI

InChI=1S/C12H15N3O3S2/c13-12-15(8-4-5-9-20(16,17)18)14-11(19-12)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H,16,17,18)/p+1