2-methyl-N-(3-methylbutyl)-6-nitro-1,3-benzothiazol-5-amine

Systemtic Name: 2-methyl-N-(3-methylbutyl)-6-nitro-1,3-benzothiazol-5-amine Openeye Name: N-isopentyl-2-methyl-6-nitro-1,3-benzothiazol-5-amine CAS Name: 2-methyl-N-(3-methylbutyl)-6-nitro-1,3-benzothiazol-5-amine IUPAC Name: 2-methyl-N-(3-methylbutyl)-6-nitro-1,3-benzothiazol-5-amine Traditional Name: isoamyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amine Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])NCCC(C)C

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])NCCC(C)C

InChI

InChI=1S/C13H17N3O2S/c1-8(2)4-5-14-10-6-11-13(19-9(3)15-11)7-12(10)16(17)18/h6-8,14H,4-5H2,1-3H3