N-methyl-1-[4-(5-nitro-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]methanamine

Systemtic Name: N-methyl-1-[4-(5-nitro-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]methanamine Openeye Name: 1-[4-(2-benzyloxy-5-nitro-phenyl)thiazol-2-yl]-N-methyl-methanamine CAS Name: N-methyl-1-[4-(5-nitro-2-phenylmethoxyphenyl)-2-thiazolyl]methanamine IUPAC Name: N-methyl-1-[4-(5-nitro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine Traditional Name: [4-(2-benzoxy-5-nitro-phenyl)thiazol-2-yl]methyl-methyl-amine Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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