N-butyl-2-methyl-6-nitro-1,3-benzothiazol-5-amine

Systemtic Name: N-butyl-2-methyl-6-nitro-1,3-benzothiazol-5-amine Openeye Name: N-butyl-2-methyl-6-nitro-1,3-benzothiazol-5-amine CAS Name: N-butyl-2-methyl-6-nitro-1,3-benzothiazol-5-amine IUPAC Name: N-butyl-2-methyl-6-nitro-1,3-benzothiazol-5-amine Traditional Name: butyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amine Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C2C(=C1)N=C(S2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C2C(=C1)N=C(S2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O2S/c1-3-4-5-13-9-6-10-12(18-8(2)14-10)7-11(9)15(16)17/h6-7,13H,3-5H2,1-2H3