1-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-methanamine

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-methanamine Openeye Name: 1-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-methanamine CAS Name: 1-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-methylmethanamine IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-methylmethanamine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-methyl-amine Formula: C15H17N5O2S MolecularWeight: 331.39278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN(C)CC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN(C)CC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O2S/c1-10-15(20(21)22)11(2)19(17-10)9-18(3)8-14-16-12-6-4-5-7-13(12)23-14/h4-7H,8-9H2,1-3H3