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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C2C(=C1)N=C(S2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C=C2C(=C1)N=C(S2)C)[N+](=O)[O-]

InChI

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