4-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[1,3-benzothiazol-2-yl(cyano)methylene]hydrazino]besylic acid Formula: C15H10N4O3S2 MolecularWeight: 358.3949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=NNC3=CC=C(C=C3)S(=O)(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=N/NC3=CC=C(C=C3)S(=O)(=O)O)/C#N

InChI

InChI=1S/C15H10N4O3S2/c16-9-13(15-17-12-3-1-2-4-14(12)23-15)19-18-10-5-7-11(8-6-10)24(20,21)22/h1-8,18H,(H,20,21,22)/b19-13+