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

Systemtic Name: 4-nitro-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-5-amine Openeye Name: 4-nitro-N-[1-(3-pyridyl)ethyl]-1,3-benzothiazol-5-amine CAS Name: 4-nitro-N-[1-(3-pyridinyl)ethyl]-1,3-benzothiazol-5-amine IUPAC Name: 4-nitro-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-5-amine Traditional Name: (4-nitro-1,3-benzothiazol-5-yl)-[1-(3-pyridyl)ethyl]amine Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CN=CC=C1)NC2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c1-9(10-3-2-6-15-7-10)17-11-4-5-12-13(16-8-21-12)14(11)18(19)20/h2-9,17H,1H3