4-nitro-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-5-amine

Systemtic Name: 4-nitro-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-5-amine Openeye Name: 4-nitro-N-(3-pyridylmethyl)-1,3-benzothiazol-5-amine CAS Name: 4-nitro-N-(3-pyridinylmethyl)-1,3-benzothiazol-5-amine IUPAC Name: 4-nitro-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-5-amine Traditional Name: (4-nitro-1,3-benzothiazol-5-yl)-(3-pyridylmethyl)amine Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O2S/c18-17(19)13-10(3-4-11-12(13)16-8-20-11)15-7-9-2-1-5-14-6-9/h1-6,8,15H,7H2