N-[(4-methyl-3-nitro-phenyl)methyl]-1-benzothiophen-5-amine

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)methyl]-1-benzothiophen-5-amine Openeye Name: N-[(4-methyl-3-nitro-phenyl)methyl]benzothiophen-5-amine CAS Name: N-[(4-methyl-3-nitrophenyl)methyl]-1-benzothiophen-5-amine IUPAC Name: N-[(4-methyl-3-nitrophenyl)methyl]-1-benzothiophen-5-amine Traditional Name: benzothiophen-5-yl-(4-methyl-3-nitro-benzyl)amine Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=CC3=C(C=C2)SC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=CC3=C(C=C2)SC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O2S/c1-11-2-3-12(8-15(11)18(19)20)10-17-14-4-5-16-13(9-14)6-7-21-16/h2-9,17H,10H2,1H3