N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[(6-imidazol-1-yl-3-pyridyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[[6-(1-imidazolyl)-3-pyridinyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-[(6-imidazol-1-yl-3-pyridyl)methyl]amine Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC3=CN=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC3=CN=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C16H13N5O2S/c22-24(23)14-4-2-1-3-13(14)16(20-24)19-10-12-5-6-15(18-9-12)21-8-7-17-11-21/h1-9,11H,10H2,(H,19,20)