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

Systemtic Name: 2-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(2-chloro-5-nitro-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(2-chloro-5-nitro-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O2S/c17-14-6-5-11(20(21)22)7-10(14)9-19-16-13(8-18)12-3-1-2-4-15(12)23-16/h5-7,9H,1-4H2/b19-9+