4-nitro-N-pentan-2-yl-1,3-benzothiazol-5-amine

Systemtic Name: 4-nitro-N-pentan-2-yl-1,3-benzothiazol-5-amine Openeye Name: N-(1-methylbutyl)-4-nitro-1,3-benzothiazol-5-amine CAS Name: 4-nitro-N-pentan-2-yl-1,3-benzothiazol-5-amine IUPAC Name: 4-nitro-N-pentan-2-yl-1,3-benzothiazol-5-amine Traditional Name: 1-methylbutyl-(4-nitro-1,3-benzothiazol-5-yl)amine Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O2S/c1-3-4-8(2)14-9-5-6-10-11(13-7-18-10)12(9)15(16)17/h5-8,14H,3-4H2,1-2H3