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

Systemtic Name: 4-nitro-N-(phenylmethyl)-1,3-benzothiazol-5-amine Openeye Name: N-benzyl-4-nitro-1,3-benzothiazol-5-amine CAS Name: 4-nitro-N-(phenylmethyl)-1,3-benzothiazol-5-amine IUPAC Name: N-benzyl-4-nitro-1,3-benzothiazol-5-amine Traditional Name: benzyl-(4-nitro-1,3-benzothiazol-5-yl)amine Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2S/c18-17(19)14-11(6-7-12-13(14)16-9-20-12)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2