N-methyl-1-[4-(3-nitro-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]methanamine

Systemtic Name: N-methyl-1-[4-(3-nitro-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]methanamine Openeye Name: 1-[4-(4-benzyloxy-3-nitro-phenyl)thiazol-2-yl]-N-methyl-methanamine CAS Name: N-methyl-1-[4-(3-nitro-4-phenylmethoxyphenyl)-2-thiazolyl]methanamine IUPAC Name: N-methyl-1-[4-(3-nitro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine Traditional Name: [4-(4-benzoxy-3-nitro-phenyl)thiazol-2-yl]methyl-methyl-amine Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=NC(=CS1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNCC1=NC(=CS1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-19-10-18-20-15(12-25-18)14-7-8-17(16(9-14)21(22)23)24-11-13-5-3-2-4-6-13/h2-9,12,19H,10-11H2,1H3