2-[(E)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(E)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(4-bromo-3-nitro-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(4-bromo-3-nitro-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H12BrN3O2S MolecularWeight: 390.25438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=C(C=C3)Br)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC(=C(C=C3)Br)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12BrN3O2S/c17-13-6-5-10(7-14(13)20(21)22)9-19-16-12(8-18)11-3-1-2-4-15(11)23-16/h5-7,9H,1-4H2/b19-9+