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

Systemtic Name: 3-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline Openeye Name: 3-nitro-N-[(2-phenylthiazol-4-yl)methyl]aniline CAS Name: 3-nitro-N-[(2-phenyl-4-thiazolyl)methyl]aniline IUPAC Name: 3-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline Traditional Name: (3-nitrophenyl)-[(2-phenylthiazol-4-yl)methyl]amine Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c20-19(21)15-8-4-7-13(9-15)17-10-14-11-22-16(18-14)12-5-2-1-3-6-12/h1-9,11,17H,10H2