2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol

Systemtic Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol Openeye Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol CAS Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]-1-butanol IUPAC Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol Traditional Name: 2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]butan-1-ol Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-3-8(6-16)14-9-4-10-12(19-7(2)13-10)5-11(9)15(17)18/h4-5,8,14,16H,3,6H2,1-2H3